SCHEMBL2931677

SCHEMBL2931677

CCOC(=O)c1cc(-c2ccsc2)c2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.60
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 2/20 0.47
PPARG P37231 2/20 0.47
MAOB P27338 3/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL2932001 0.82 MEN1 (0.48) MEN1KMT2AMAOB
SCHEMBL13057641 0.81 MEN1 (0.57) P2RY14MEN1HSP90AA1KMT2APPARG
SCHEMBL2931013 0.80 MEN1 (0.56) P2RY14MEN1HSP90AA1KMT2APPARG
SCHEMBL2933139 0.78 P2RY14 (0.56) P2RY14ALOX5LTB4RLTB4R2
SCHEMBL9300644 0.78 P2RY14 (0.78) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL3063231 0.78 MEN1 (0.42) P2RY14MEN1KMT2A
SCHEMBL9300510 0.76 P2RY14 (1.00) P2RY14MEN1KMT2AALOX5MAOB
SCHEMBL2935005 0.75 P2RY14 (0.52) P2RY14ALOX5LTB4RLTB4R2
SCHEMBL2933596 0.74 P2RY14 (0.56) P2RY14ALOX5LTB4RLTB4R2
SCHEMBL2930474 0.74 P2RY14 (0.56) P2RY14ALOX5

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 3 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
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

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 423/4885MEN1 4181/4885HSP90AA1 1557/4885

“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.