SCHEMBL2886958

SCHEMBL2886958

Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)Oc2ccc(C(N)=O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.66
PTGS1 P23219 3/20 0.66
ABCB11 O95342 1/20 0.66
PPARG P37231 1/20 0.66
NR1I3 Q14994 1/20 0.66
CAMK2A Q9UQM7 1/20 0.41
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
CYP2C9 P11712 1/20 0.39
TBXA2R P21731 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL2880887 0.93 PTGS2 (0.64) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL15267399 0.90 PTGS2 (0.65) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5534966 0.85 PTGS2 (0.79) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL14307499 0.84 PTGS2 (0.63) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL15267404 0.83 PTGS2 (0.62) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL13688513 0.83 PTGS2 (0.66) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL14307498 0.83 PTGS2 (0.61) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL2888394 0.82 PTGS2 (0.60) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL27747871 0.81 PTGS2 (0.49) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5155301 0.81 PTGS2 (0.66) 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 25 patents — showing the first 20. 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
US-8541398-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2013-09-24 US disclosed
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
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-8314140-B2 4-hydroxythiobenzamide derivatives of drugs ANTIBE THERAPEUTICS INC. (CA) 2012-11-20 US 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-20100210607-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2010-08-19 US disclosed
US-20090306412-A1 4-HYDROXYTHIOBENZAMIDE DERIVATIVES OF DRUGS ANTIBE THERAPEUTICS INC. (CA) 2009-12-10 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-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
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-03 US 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.