SCHEMBL2933836

SCHEMBL2933836

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
ELANE P08246 1/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
STS P08842 1/20 0.38
BCL2L1 Q07817 1/20 0.38
POLB P06746 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
PTGER4 P35408 1/20 0.37
PPARD Q03181 1/20 0.37
PDK2 Q15119 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
SCHEMBL2934388 0.90 ALDH1A1 (0.41) BCL2L1PDK2
SCHEMBL2935754 0.89 P2RY14 (0.47)
SCHEMBL2929310 0.87 ALDH1A1 (0.41) BCL2L1PDK2
SCHEMBL13057653 0.84 RAB9A (0.41) STSBCL2L1POLB
SCHEMBL13082047 0.83 TDP1 (0.40) STSBCL2L1
SCHEMBL14994700 0.81 RAB9A (0.46) STS
SCHEMBL2935886 0.80 PTGDR2 (0.38) GSK3BELANEPOLBHRH2HRH1
SCHEMBL2931528 0.80 MEN1 (0.48)
SCHEMBL2935746 0.79 MAOB (0.40) STS
SCHEMBL13057679 0.79 STS (0.44) ELANESTSBCL2L1

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 GSK3B 4042/4885ELANE 2450/4885AURKA 4288/4885

“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.