Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.40 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.40 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 6/20 | 0.41 |
| ▸ | MMP1 | P03956 | 5/20 | 0.41 |
| ▸ | MMP9 | P14780 | 4/20 | 0.41 |
| ▸ | MMP3 | P08254 | 4/20 | 0.41 |
| ▸ | MMP8 | P22894 | 2/20 | 0.41 |
| ▸ | MMP14 | P50281 | 2/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7054818 | 0.85 | MEN1 (0.47) | MMP2MMP1MMP14MMP7ADAM17 | |
| SCHEMBL7055469 | 0.83 | CA1 (0.41) | SOS1MMP2MMP1MMP9MMP3 | |
| SCHEMBL7057708 | 0.82 | MMP2 (0.41) | SOS1MMP2MMP1MMP9MMP3 | |
| SCHEMBL7060195 | 0.79 | MMP13 (0.44) | MMP2MMP1MMP9MMP3MMP8 | |
| SCHEMBL9249109 | 0.73 | SOS1 (0.64) | SOS1MMP2MMP1MMP9MMP3 | |
| SCHEMBL7055779 | 0.72 | KIF11 (0.45) | MMP1MMP13CA1CA2CA9 | |
| Diphenylether SCHEMBL4275227 | 0.72 | LTA4H (0.63) | SOS1MMP2MMP1MMP9MMP3 | |
| Diphenylether SCHEMBL4275226 | 0.72 | LTA4H (0.63) | SOS1MMP2MMP1MMP9MMP3 | |
| SCHEMBL15591046 | 0.69 | APP (0.54) | CA1CA2GSTP1PTPN1PTPRA | |
| Diphenylether SCHEMBL28558516 | 0.69 | SOS1 (0.53) | SOS1MMP2MMP1MMP9MMP3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030060473-A1 | Piperazine compounds as inhibitors of MMP or TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-27 | — | — | US | disclosed |
| US-6489324-B2 | TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-12-03 | — | — | US | disclosed |
| US-6333324-B1 | FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-12-25 | — | — | US | disclosed |
| EP-0948489-A1 | PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998027069-A1 | PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-06-25 | — | — | 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 (1 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-20030060473-A1 | Piperazine compounds as inhibitors of MMP or TNF | MMP2, MMP1, TNF | CA1 1800/4885CA2 1488/4885CA12 2616/4885 |
“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.