SCHEMBL2935754

SCHEMBL2935754

CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 6/20 0.47
SLC6A2 P23975 1/20 0.47
TMEM97 Q5BJF2 5/20 0.43
DRD1 P21728 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL2934388 0.91 ALDH1A1 (0.41) KDM4EMEN1MAPTKMT2A
SCHEMBL2933836 0.89 GSK3B (0.39)
SCHEMBL2929310 0.88 ALDH1A1 (0.41) P2RY14SLC6A2TMEM97KDM4EMEN1
SCHEMBL13057653 0.85 RAB9A (0.41) KDM4EMAPTKMT2A
SCHEMBL14994700 0.82 RAB9A (0.46) KDM4EMEN1MAPTKMT2A
SCHEMBL2935252 0.82 P2RY14 (0.67) P2RY14SLC6A2TMEM97DRD1SIGMAR1
SCHEMBL13082047 0.80 TDP1 (0.40) MAOB
SCHEMBL2931528 0.77 MEN1 (0.48) P2RY14MEN1HSP90AA1MAPTKMT2A
SCHEMBL3056960 0.77 TMEM97 (0.50) P2RY14TMEM97DRD1SIGMAR1
SCHEMBL30608333 0.77 MAOB (0.51) P2RY14SLC6A2KDM4EMEN1HSP90AA1

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 423/4885SLC6A2 1169/4885TMEM97 143/4885

“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.