SCHEMBL3063231

SCHEMBL3063231

CCOC(=O)c1cc(-c2ccsc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM5 P08912 1/20 0.41
TMEM97 Q5BJF2 4/20 0.41
P2RY14 Q15391 3/20 0.40
DRD1 P21728 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 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
SCHEMBL2927195 0.87 AURKA (0.49) TMEM97P2RY14DRD1
SCHEMBL2929384 0.82 TMEM97 (0.39) TMEM97P2RY14DRD1
SCHEMBL2932001 0.81 MEN1 (0.48) MEN1USP2MAPTALOX15KMT2A
SCHEMBL2931677 0.78 P2RY14 (0.60) MEN1KMT2AP2RY14
SCHEMBL2933836 0.75 GSK3B (0.39)
SCHEMBL2927420 0.72 TMEM97 (0.47) TMEM97P2RY14DRD1
SCHEMBL2934478 0.72 TMEM97 (0.47) TMEM97P2RY14DRD1
SCHEMBL2931799 0.71 PTPN22 (0.43) CHRM5
SCHEMBL2935165 0.71 AKR1C2 (0.42)
SCHEMBL2930789 0.71 TMEM97 (0.51) TMEM97P2RY14DRD1

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 MEN1 4181/4885USP2 2781/4885MAPT 4593/4885

“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.