SCHEMBL2933596

SCHEMBL2933596

O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Br)cccc3Br)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.56
ALOX5 P09917 3/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL2927315 0.93 P2RY14 (0.52) P2RY14ALOX5MRGPRX4
SCHEMBL2933139 0.88 P2RY14 (0.56) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2935013 0.88 P2RY14 (0.56) P2RY14ALOX5MRGPRX4
SCHEMBL2930474 0.88 P2RY14 (0.56) P2RY14ALOX5MRGPRX4
SCHEMBL2931786 0.84 P2RY14 (0.53) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2931721 0.84 P2RY14 (0.52) P2RY14
SCHEMBL2929204 0.83 P2RY14 (0.53) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2935005 0.82 P2RY14 (0.52) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2927375 0.82 P2RY14 (0.52) P2RY14MRGPRX4
SCHEMBL2932621 0.79 P2RY14 (0.48) P2RY14ALOX5MRGPRX4LTB4RLTB4R2

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 423/4885ALOX5 131/4885MRGPRX4 390/4885

“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.