SCHEMBL1757352

SCHEMBL1757352

Cc1ccc(C(=O)O)c(CBr)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 4/20 0.42
TTR P02766 2/20 0.41
NR4A1 P22736 2/20 0.41
PTGS2 P35354 2/20 0.41
MEN1 O00255 1/20 0.41
AKR1B10 O60218 1/20 0.41
ABCB11 O95342 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
FABP2 P12104 1/20 0.41
RXRA P19793 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
AKR1C3 P42330 1/20 0.41
NR4A2 P43354 1/20 0.41
AKR1C2 P52895 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL1963804 0.86 TSHR (0.40) CLCN2TTRNR4A1PTGS2MEN1
SCHEMBL23703865 0.85 HAAO (0.39) CLCN2NR4A1HAAOADRA2ATSHR
SCHEMBL2258690 0.83 HAAO (0.40) HAAOMCL1ALDH1A1MYCCYP1A2
SCHEMBL23089645 0.81 PTGS2 (0.46) PTGS2KMT2AMETTL3TSHRCASP1
SCHEMBL28122101 0.80 HAAO (0.38) AKR1C3KMT2AHAAOMCL1ALDH1A1
SCHEMBL8127076 0.79 CYP3A4 (0.38) CLCN2TTRNR4A1PTGS2MEN1
SCHEMBL23706127 0.79 CSNK2A2 (0.42) CLCN2TTRNR4A1PTGS2MEN1
SCHEMBL9592737 0.78 NR1H4 (0.35) CLCN2NR4A1MEN1AKR1C2KMT2A
SCHEMBL18280372 0.78 HAAO (0.39) PTGS2MEN1AKR1B10ABCB11CHRM1
SCHEMBL109811 0.77 CLCN2 (0.49) CLCN2TTRNR4A1PTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943760-B2 Non-nucleotide composition for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100197913-A1 NON-NUCLEOTIDE COMPOSITION FOR INHIBITING PLATELET AGGREGATION PLOURDE JR ROBERT 2010-08-05 US disclosed
US-7749981-B2 Drug-eluting stents coated with non-nucleotide P2Y12 receptor antagonist compound INSPIRE PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-7592445-B2 Non-nucleotide composition and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
EP-1943261-A2 DRUG-ELUTING STENTS COATED WITH NON-NUCLEOTIDE P2Y12 RECEPTOR ANTAGONIST COMPOUND Inspire Pharmaceuticals, Inc. (US) 2008-07-16 EP disclosed
US-20080103304-A1 NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION PLOURDE ROBERT JR 2008-05-01 US disclosed
US-7335648-B2 Non-nucleotide composition and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
EP-1883637-A2 NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION Inspire Pharmaceuticals, Inc. (US) 2008-02-06 EP disclosed
WO-2007056217-A2 DRUG-ELUTING STENTS COATED WITH NON-NUCLEOTIDE P2Y12 RECEPTOR ANTAGONIST COMPOUND INSPIRE PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
WO-2006119507-A2 NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION INSPIRE PHARMACEUTICALS, INC. (US) 2006-11-09 WO disclosed
US-20060121086-A1 Drug-eluting stents coated with non-nucleotide P2Y12 receptor antagonist compound INSPIRE PHARMACEUTICALS, INC. 2006-06-08 US disclosed
US-20050267134-A1 Non-nucleotide composition and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. 2005-12-01 US 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-20080103304-A1 NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION P2RY12, P2RY11, P2RY13 CLCN2 2165/4885TTR 2424/4885NR4A1 1353/4885
US-20050267134-A1 Non-nucleotide composition and method for inhibiting platelet aggregation P2RY12, P2RY11, P2RY13 CLCN2 2374/4885TTR 2276/4885NR4A1 1303/4885
US-20100197913-A1 NON-NUCLEOTIDE COMPOSITION FOR INHIBITING PLATELET AGGREGATION P2RY12, P2RY13, P2RY11 CLCN2 2060/4885TTR 2463/4885NR4A1 1578/4885
US-20060121086-A1 Drug-eluting stents coated with non-nucleotide P2Y12 receptor antagonist compound P2RY12, P2RY11, P2RY13 CLCN2 1352/4885TTR 4369/4885NR4A1 1705/4885

“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.