SCHEMBL2886956

SCHEMBL2886956

Cc1ccc(Nc2c(F)cccc2Cl)c(C(C(=O)O)c2ccc(C(N)=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
PTGS1 P23219 3/20 0.53
ABCB11 O95342 1/20 0.53
PPARG P37231 1/20 0.53
NR1I3 Q14994 1/20 0.53
CXCL8 P10145 4/20 0.40
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 2/20 0.34
PTGES O14684 1/20 0.34
CLCN2 P51788 1/20 0.34

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
SCHEMBL2880886 0.92 PTGS2 (0.52) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL2888391 0.82 PTGS2 (0.48) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL27595572 0.81 PTGS2 (0.64) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL7131340 0.76 PTGS2 (0.67) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL3884087 0.75 PTGS2 (0.68) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL2886958 0.74 PTGS2 (0.66) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL577022 0.71 PTGS2 (0.45) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL4479 0.70 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL29377334 0.70 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL29475008 0.70 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541398-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2013-09-24 US disclosed
EP-2057139-B1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC (US) 2013-09-04 EP disclosed
US-8314140-B2 4-hydroxythiobenzamide derivatives of drugs ANTIBE THERAPEUTICS INC. (CA) 2012-11-20 US disclosed
US-20100210607-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2010-08-19 US disclosed
US-7741359-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2010-06-22 US disclosed
US-20090306412-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2009-12-10 US disclosed
EP-2057139-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS Antibe Therapeutics Inc. (US) 2009-05-13 EP disclosed
EP-2041108-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS Antibe Therapeutics Inc. (US) 2009-04-01 EP disclosed
WO-2008009118-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
WO-2008009127-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-03 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 (3 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-20090306412-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS HRH4, HRH2, HNMT PTGS2 125/4885PTGS1 115/4885ABCB11 81/4885
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS PTGS1, HPGDS, PTGES PTGS2 4/4885PTGS1 1/4885ABCB11 1085/4885
US-20100210607-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS PTGS1, HPGDS, PTGES PTGS2 4/4885PTGS1 1/4885ABCB11 1085/4885

“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.