SCHEMBL6957005

SCHEMBL6957005

Nc1ccc2c(c1)C=CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CYP2B6 P20813 1/20 0.42
STS P08842 1/20 0.41
MAPT P10636 6/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.38
MITF O75030 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 5/20 0.33

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
SCHEMBL30065900 0.84 STS (0.53) CA1CA9CA12CA2CYP2B6
SCHEMBL10426769 0.84 STS (0.53) CA1CA9CA12CA2CYP2B6
Hydrochloric Acid SCHEMBL29213147 0.82 STS (0.51) CA1CA9CA12CA2CYP2B6
SCHEMBL28014573 0.81 CA12 (0.42) CA1CA9CA12CA2STS
SCHEMBL1192912 0.76 CYP3A4 (0.45) CA1CA9CA12CA2CYP2B6
SCHEMBL2007996 0.76 CYP2B6 (0.42) CA1CA9CYP2B6STSCYP1A2
SCHEMBL277261 0.76 CYP2B6 (0.46) CA1CA9CYP2B6STSCYP1A2
SCHEMBL4550984 0.76 CYP2B6 (0.46) CA1CA9CYP2B6STSCYP1A2
SCHEMBL3199320 0.76 AHR (0.45) CA1CA9CYP2B6STSMAPT
SCHEMBL5545197 0.76 CYP2B6 (0.42) CA1CA9CYP2B6STSCYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130342-A1 Glycoprotein llb/llla antagonists FISHER MATTHEW J (US) 2003-07-10 US disclosed
EP-0804431-B9 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2003-01-02 EP disclosed
WO-2002076937-A2 AMINOBENZOPYRAN DERIVATIVES AND COMPOSITIONS SONUS PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6448269-B1 SUCH AS 6-(N-(4-(AMINOIMINOMETHYL)BENZOYL)AMINO)-3,4-DIHYDRO-4,4-DIMETHYL-2H-1 -BENZOPYRAN-2-YL)ACETIC ACID; INHIBITING PLATELET AGGREGATION OR FIBRINOGEN BINDING OR PREVENTING THROMBOSIS ELI LILLY AND COMPANY 2002-09-10 US disclosed
EP-0804431-B1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6020362-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
EP-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP disclosed
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130342-A1 Glycoprotein llb/llla antagonists SELL, SELPLG, LY96 CA1 4746/4885CA9 4610/4885CA12 4526/4885

“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.