SCHEMBL2173402

SCHEMBL2173402

COC(=O)c1csc(CCl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
DAO P14920 1/20 0.44
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
XDH P47989 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FUT7 Q11130 1/20 0.40

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
SCHEMBL13814173 0.84 DAO (0.65) PARP1DAOCA12CA1CA2
SCHEMBL2176203 0.84 PARP1 (0.47) PARP1DAOCA12CA1CA2
SCHEMBL24459408 0.82 PARP1 (0.46) PARP1DAOCA12CA1CA2
SCHEMBL12407032 0.82 LOXL2 (0.49) PARP1DAOCA12CA1CA2
SCHEMBL24036135 0.82 PARP1 (0.49) PARP1DAOCA12CA1CA2
SCHEMBL4083604 0.82 PARP1 (0.46) PARP1DAOCA12CA1CA2
SCHEMBL10673042 0.81 USP2 (0.47) PARP1DAOCA12CA1CA2
SCHEMBL2332640 0.81 PARP1 (0.45) PARP1DAOCA12CA1CA2
SCHEMBL2331028 0.81 DAO (0.47) PARP1DAOCA12CA1CA2
SCHEMBL13141068 0.79 PARP1 (0.44) PARP1DAOCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440073-B1 KINASE INHIBITORS OXULAR ACQUISITIONS LTD (GB) 2022-06-08 EP disclosed
US-10442828-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-15 US disclosed
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-20180305383-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-10-25 US disclosed
US-10072034-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2018-09-11 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170291917-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2017-10-12 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
EP-1444228-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2004-08-11 EP disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 US disclosed
WO-2003044015-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2003-05-30 WO disclosed
US-4777179-A HISTAMINE H2-ANTAGONIST GLAXO GROUP LIMITED (GB) 1988-10-11 US disclosed
US-4670448-A ANTIINFLAMMATORY AGENTS, HISTAMINE H2-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1987-06-02 US disclosed
EP-0027744-B1 THIOPHENE DERIVATIVES, PROCESSES FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-03-14 EP disclosed
US-4382929-A HISTAMINE H2 ANTAGONISTS GLAXO GROUP LIMITED (GB) 1983-05-10 US disclosed
EP-0027744-A1 Thiophene derivatives, processes for the production thereof and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1981-04-29 EP 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 (7 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-10072034-B2 Kinase inhibitors SYK, LYN, BTK PARP1 3468/4885DAO 3296/4885CA12 4840/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 PARP1 3954/4885DAO 3281/4885CA12 3596/4885
US-20180305383-A1 KINASE INHIBITORS SYK, LTK, LTB4R PARP1 2661/4885DAO 3015/4885CA12 4881/4885
US-10442828-B2 Kinase inhibitors SYK, LTK, LTB4R PARP1 2661/4885DAO 3015/4885CA12 4881/4885
US-20170291917-A1 KINASE INHIBITORS SYK, LYN, BTK PARP1 3468/4885DAO 3296/4885CA12 4840/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC PARP1 3914/4885DAO 7/4885CA12 2797/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PARP1 3954/4885DAO 3281/4885CA12 3596/4885

“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.