SCHEMBL3757479

SCHEMBL3757479

Cc1cc(=O)oc2cc(OS)ccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.73
KDM4E B2RXH2 11/20 0.73
HSD17B10 Q99714 7/20 0.73
HPGD P15428 6/20 0.73
GAA P10253 8/20 0.66
GLA P06280 7/20 0.66
CA2 P00918 1/20 0.64
STS P08842 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
ALDH2 P05091 2/20 0.61
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 5/20 0.59
MAOB P27338 3/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
CASP3 P42574 2/20 0.59
SENP8 Q96LD8 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP6 Q9GZR1 2/20 0.59

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.

Compoundsimilaritytop predictedshared targets
Hymecromone Methyl Ether SCHEMBL314248 0.85 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDGAA
Hymecromone Methyl Ether SCHEMBL31103478 0.85 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL15842390 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL20703812 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL14477795 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL66273 0.81 ALDH1A1 (0.78) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL31281633 0.81 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL14176760 0.81 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29557901 0.81 ALDH1A1 (0.78) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL335474 0.80 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDGAA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020218950-A1 COMBINATION FOR TREATING FUNCTIONAL DISEASES OF THE GASTROINTESTINAL TRACT ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" 2020-10-29 WO claimed
WO-2020218950-A4 COMBINATION FOR TREATING FUNCTIONAL DISEASES OF THE GASTROINTESTINAL TRACT ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" 2021-01-14 WO disclosed
WO-2020218950-A1 COMBINATION FOR TREATING FUNCTIONAL DISEASES OF THE GASTROINTESTINAL TRACT ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" 2020-10-29 WO disclosed
WO-2020218950-A1 COMBINATION FOR TREATING FUNCTIONAL DISEASES OF THE GASTROINTESTINAL TRACT ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" 2020-10-29 WO disclosed
US-8729232-B2 Aldehyde tags, uses thereof in site-specific protein modification THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-8349910-B2 Aldehyde tags, uses thereof in site-specific protein modification THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-08 US disclosed
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-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 (4 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021624-A1 Steroid sulphatase inhibitors STS, CYP21A2, SULT1E1 ALDH1A1 365/4885KDM4E 1652/4885HSD17B10 39/4885
US-20070173531-A1 Compound HSD17B11, NR5A1, CYP17A1 ALDH1A1 611/4885KDM4E 1129/4885HSD17B10 24/4885
US-20010018435-A1 Steroid sulphatase inhibitors STS, CYP21A2, SULT1E1 ALDH1A1 326/4885KDM4E 1805/4885HSD17B10 39/4885
US-20020128243-A1 Steroid sulphatase inhibitors STS, SULT1E1, CYP21A2 ALDH1A1 398/4885KDM4E 1816/4885HSD17B10 50/4885

“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.