Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
The experimentally established mechanism targets of Coumarin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 10/20 | 0.80 |
| ▸ | CA9 | Q16790 | 10/20 | 0.80 |
| ▸ | CA1 | P00915 | 5/20 | 0.80 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.80 |
| ▸ | CA3 | P07451 | 4/20 | 0.80 |
| ▸ | CA4 | P22748 | 4/20 | 0.80 |
| ▸ | CA5A | P35218 | 4/20 | 0.80 |
| ▸ | CA7 | P43166 | 4/20 | 0.80 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.80 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.80 |
| ▸ | CA2 | P00918 | 4/20 | 0.80 |
| ▸ | CA6 | P23280 | 3/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.80 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.80 |
| ▸ | GLA | P06280 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Coumarin SCHEMBL28140387 | 0.92 | CA12 (0.74) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL711764 | 0.92 | CA12 (0.74) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL25431834 | 0.90 | CA12 (0.91) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL29385611 | 0.89 | CA12 (1.00) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL28886137 | 0.89 | CA12 (1.00) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL6252 | 0.89 | CA12 (1.00) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL1038138 | 0.89 | CA12 (1.00) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL3441294 | 0.89 | CA12 (1.00) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL621751 | 0.89 | CA12 (1.00) | CA12CA9CA1MCL1CA3 | |
| Coumarin SCHEMBL29043446 | 0.88 | CA12 (0.80) | CA12CA9CA1MCL1CA3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7846965-B2 | a non-steroidal sulphamate compound such as 6-Oxo-8,9,10,11-tetrahydro-7H-cyclohepta-[c][1]benzopyran-3-O-sulphamate, suitable for use as an inhibitor of estrone sulphatase, for the treatment of endocrine-dependent cancers and tumors, such as the breast and endometrium | STERIX LIMITED (GB) | 2010-12-07 | — | — | US | disclosed |
| US-20070173531-A1 | Compound | REED MICHAEL J | 2007-07-26 | — | — | US | disclosed |
| US-7202272-B2 | Compound | STERIX, LTD. (GB) | 2007-04-10 | — | — | US | disclosed |
| US-20070021624-A1 | Steroid sulphatase inhibitors | REED MICHAEL J | 2007-01-25 | — | — | US | disclosed |
| US-20060241173-A1 | A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers | STERIX LTD. | 2006-10-26 | — | — | US | disclosed |
| US-7098199-B2 | Steroid sulphatase inhibitors | STERIX LIMITED (GB) | 2006-08-29 | — | — | US | disclosed |
| EP-1577308-A2 | Non-steroidal polycyclic ring sulphamate derivatives, their preparation and their use as oestrone sulphatase inhibitors | Sterix Limited (GB) | 2005-09-21 | — | — | EP | disclosed |
| US-6921776-B1 | Compound | STERIX LIMITED (GB) | 2005-07-26 | — | — | US | disclosed |
| US-20050154050-A1 | Compound | REED MICHAEL J (GB) | 2005-07-14 | — | — | US | disclosed |
| US-6903084-B2 | Steroid sulphatase inhibitors | STERIX LIMITED (GB) | 2005-06-07 | — | — | US | disclosed |
| US-6642397-B1 | Purified polycyclic sulfamate derivative | STERIX LIMITED (GB) | 2003-11-04 | — | — | US | disclosed |
| US-6476011-B1 | Methods for introducing an estrogenic compound | STERIX LIMITED (GB) | 2002-11-05 | — | — | US | disclosed |
| US-20020128243-A1 | Steroid sulphatase inhibitors | REED MICHAEL JOHN (GB) | 2002-09-12 | — | — | US | disclosed |
| US-20010018435-A1 | Steroid sulphatase inhibitors | STERIX LIMITED | 2001-08-30 | — | — | US | disclosed |
| US-6239169-B1 | ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES | STERIX LIMITED (GB) | 2001-05-29 | — | — | US | disclosed |
| US-6187766-B1 | Steroid sulphatase inhibitors | IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) | 2001-02-13 | — | — | US | disclosed |
| US-6159960-A | Steroid sulphatase inhibitors | STERIX LIMITED (GB) | 2000-12-12 | — | — | US | disclosed |
| US-6011024-A | A RING SYSTEM COMPOUND TO WHICH IS ATTACHED A SULPHAMATE GROUP | IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) | 2000-01-04 | — | — | US | disclosed |
| EP-0880514-A1 | NON-STEROIDAL POLYCYCLIC RING SULPHAMATE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS OESTRONE SULPHATASE INHIBITORS | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDICINE (GB) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997030041-A1 | NON-STEROIDAL POLYCYCLIC RING SULPHAMATE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS OESTRONE SULPHATASE INHIBITORS | IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY AND MEDICINE (GB) | 1997-08-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070021624-A1 | Steroid sulphatase inhibitors | STS, CYP21A2, SULT1E1 | MAOB 800/4885CA12 1585/4885CA9 980/4885 |
| US-20060241173-A1 | A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers | STS, SULT1E1, CYP19A1 | MAOB 313/4885CA12 1717/4885CA9 814/4885 |
| US-20070173531-A1 | Compound | HSD17B11, NR5A1, CYP17A1 | MAOB 707/4885CA12 864/4885CA9 519/4885 |
| US-20050154050-A1 | Compound | HSD17B11, NR5A1, CYP17A1 | MAOB 707/4885CA12 864/4885CA9 519/4885 |
| US-20010018435-A1 | Steroid sulphatase inhibitors | STS, CYP21A2, SULT1E1 | MAOB 670/4885CA12 1587/4885CA9 1400/4885 |
| US-20020128243-A1 | Steroid sulphatase inhibitors | STS, SULT1E1, CYP21A2 | MAOB 574/4885CA12 1546/4885CA9 1265/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.