SCHEMBL2935013

SCHEMBL2935013

O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(F)cccc3F)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.56
ANO1 Q5XXA6 3/20 0.43
ALKBH1 Q13686 1/20 0.39
TP53 P04637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL2931721 0.93 P2RY14 (0.52) P2RY14ALKBH1TP53
SCHEMBL2931786 0.92 P2RY14 (0.53) P2RY14ANO1MRGPRX4ALOX5
SCHEMBL2933139 0.88 P2RY14 (0.56) P2RY14MRGPRX4ALOX5
SCHEMBL2933596 0.88 P2RY14 (0.56) P2RY14MRGPRX4ALOX5
SCHEMBL2930474 0.88 P2RY14 (0.56) P2RY14TP53MRGPRX4ALOX5
SCHEMBL2935005 0.86 P2RY14 (0.52) P2RY14MRGPRX4ALOX5
SCHEMBL2927315 0.84 P2RY14 (0.52) P2RY14TP53MRGPRX4ALOX5
SCHEMBL2929204 0.83 P2RY14 (0.53) P2RY14MRGPRX4ALOX5
SCHEMBL2932621 0.82 P2RY14 (0.48) P2RY14TP53MRGPRX4ALOX5
SCHEMBL2927375 0.82 P2RY14 (0.52) P2RY14MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 P2RY14 423/4885ANO1 1677/4885ALKBH1 4477/4885

“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.