SCHEMBL2929384

SCHEMBL2929384

CCOC(=O)c1cc(-c2csc(S(C)(=O)=O)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.39
MMP12 P39900 1/20 0.38
P2RY14 Q15391 3/20 0.38
DRD1 P21728 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL2934478 0.90 TMEM97 (0.47) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2931527 0.89 AURKA (0.44) TMEM97P2RY14SIGMAR1
SCHEMBL3063231 0.82 MEN1 (0.42) TMEM97P2RY14DRD1
SCHEMBL2934669 0.76 P2RY14 (0.56) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2933836 0.76 GSK3B (0.39)
SCHEMBL2927420 0.74 TMEM97 (0.47) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2927418 0.73 TMEM97 (0.46) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL3056960 0.70 TMEM97 (0.50) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2927195 0.69 AURKA (0.49) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2935165 0.68 AKR1C2 (0.42)

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 TMEM97 143/4885MMP12 2315/4885P2RY14 423/4885

“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.