SCHEMBL2887218

SCHEMBL2887218

CC(=O)Oc1ccccc1C(=O)Oc1ccc(N=C=S)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.59
HSD17B10 Q99714 5/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ESR1 P03372 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
GGT1 P19440 1/20 0.49
PTGS1 P23219 1/20 0.49
BLM P54132 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL15267406 0.88 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL14714206 0.84 MAPT (0.46) PTGS2HSD17B10KDM4ELMNACYP1A2
Phenylaspirinate SCHEMBL25954 0.81 HSD17B10 (0.75) PTGS2HSD17B10KDM4ELMNACYP1A2
Phenylaspirinate SCHEMBL29389369 0.81 HSD17B10 (0.75) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL3419623 0.81 LMNA (0.53) HSD17B10KDM4ELMNAALDH1A1ESR1
SCHEMBL11929659 0.80 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL21449134 0.80 PTGS2 (0.68) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL15267403 0.79 PTGS2 (0.63) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL14714209 0.78 MAPT (0.41) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL11925078 0.77 PTGS2 (0.54) PTGS2HSD17B10KDM4ELMNACYP1A2

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 17 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
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-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-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-7741359-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2010-06-22 US disclosed
US-7741359-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2010-06-22 US disclosed
EP-2057139-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS Antibe Therapeutics Inc. (US) 2009-05-13 EP disclosed
WO-2008009127-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY 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 (2 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-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS PTGS1, HPGDS, PTGES PTGS2 4/4885HSD17B10 187/4885KDM4E 3781/4885
US-20100210607-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS PTGS1, HPGDS, PTGES PTGS2 4/4885HSD17B10 187/4885KDM4E 3781/4885

“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.