SCHEMBL3202840

SCHEMBL3202840

CCCCOc1cc(C=O)n(Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.41
PPARG P37231 5/20 0.40
ALOX5 P09917 3/20 0.40
PTGES O14684 2/20 0.40
NPBWR1 P48145 1/20 0.38
P2RY14 Q15391 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PTGER4 P35408 1/20 0.37
PSEN1 P49768 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
AGTR1 P30556 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
SCHEMBL3207559 0.86 PPARG (0.53) PTGDR2PPARGPPARD
SCHEMBL3208095 0.86 PPARG (0.46) PTGDR2PPARGALOX5PTGESP2RY14
SCHEMBL3208104 0.86 PPARG (0.46) PTGDR2PPARGALOX5PTGESP2RY14
SCHEMBL3215812 0.81 PTGDR2 (0.48) PTGDR2PPARGALOX5PTGESP2RY14
SCHEMBL3215322 0.79 PTGDR2 (0.44) PTGDR2PPARGALOX5PTGESP2RY14
SCHEMBL3208535 0.79 PPARG (0.67) PPARG
SCHEMBL3208541 0.79 PPARG (0.67) PPARG
SCHEMBL5113546 0.78 TP53 (0.42) HTR2C
SCHEMBL3205522 0.78 PTGDR2 (0.47) PTGDR2PPARGALOX5PTGESPSEN1
SCHEMBL3202825 0.76 PTGDR2 (0.41) PTGDR2PPARGALOX5PTGESNPBWR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PTGDR2 1289/4885PPARG 31/4885ALOX5 583/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PTGDR2 1005/4885PPARG 30/4885ALOX5 757/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PTGDR2 1289/4885PPARG 31/4885ALOX5 583/4885

“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.