SCHEMBL122572

SCHEMBL122572

Cc1ccc2sc(CO)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.58
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN2 P17706 1/20 0.37
ADRB2 P07550 1/20 0.37
IDH1 O75874 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CA2 P00918 1/20 0.36
AKR1B1 P15121 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL2434748 0.85 CYP2A6 (0.58) CYP2A6ICAM1SELEMAPTCYP1A2
SCHEMBL6958993 0.82 CYP2A6 (0.50) CYP2A6ICAM1SELETRPM8MAPT
SCHEMBL28221396 0.81 CYP2A6 (0.46) CYP2A6TRPM8MAPTCYP1A2ADRB2
SCHEMBL3463194 0.81 CYP2A6 (0.49) CYP2A6TRPM8MAPTCYP1A2ADRB2
SCHEMBL27759975 0.81 CYP2A6 (0.58) CYP2A6TRPM8MAPTCYP1A2ADRB2
SCHEMBL12489953 0.79 CYP2A6 (0.47) CYP2A6TRPM8MAPTCYP1A2HSD17B10
SCHEMBL9374785 0.78 CYP2A6 (0.60) CYP2A6MAPTCYP1A2PTPN2ASIC3
SCHEMBL13329682 0.78 CYP2A6 (0.46) CYP2A6TRPM8MAPTCYP1A2ADRB2
SCHEMBL16398343 0.78 CYP2A6 (0.55) CYP2A6ICAM1SELEHSD17B10PTPN2
SCHEMBL24601455 0.77 CYP2A6 (0.58) CYP2A6MAPTHSD17B10PTPN2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4691558-A2 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS University Court of The University of Dundee (GB) 2026-02-11 EP disclosed
US-20250295789-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2025-09-25 US disclosed
EP-2857018-B1 Treatment or prophylaxis of proliferative conditions UNIV COURT OF THE UNIV OF DUNDEE (GB) 2025-09-03 EP disclosed
US-20220031852-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2022-02-03 US disclosed
US-20220031852-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2022-02-03 US disclosed
US-20200360521-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2020-11-19 US disclosed
US-20200360521-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2020-11-19 US disclosed
US-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death DANA-FARBER CANCER INSTITUTE, INC. 2020-06-04 US disclosed
US-9919060-B2 Treatment or prophylaxis of proliferative conditions UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2018-03-20 US disclosed
US-9919060-B2 Treatment or prophylaxis of proliferative conditions UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2018-03-20 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 US disclosed
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-29 US disclosed
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-03-04 US disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 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 (10 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-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 CYP2A6 182/4885ICAM1 4395/4885SELE 3838/4885
US-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death BAX, BAD, TMBIM6 CYP2A6 3706/4885ICAM1 1761/4885SELE 3560/4885
US-20200360521-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 CYP2A6 62/4885ICAM1 1594/4885SELE 2949/4885
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF CYP11B2, CYP11B1, NR3C2 CYP2A6 83/4885ICAM1 3909/4885SELE 2078/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S CYP2A6 207/4885ICAM1 4216/4885SELE 3389/4885
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 CYP2A6 182/4885ICAM1 4395/4885SELE 3838/4885
US-20220031852-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 CYP2A6 62/4885ICAM1 1594/4885SELE 2949/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 CYP2A6 512/4885ICAM1 4291/4885SELE 3538/4885
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 CYP2A6 182/4885ICAM1 4395/4885SELE 3838/4885
US-20250295789-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, BRCA1, UGT1A1 CYP2A6 81/4885ICAM1 1825/4885SELE 2882/4885

“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.