SCHEMBL3587459

SCHEMBL3587459

CCc1cc(C(=O)c2ccc(OC(F)(F)F)cc2)c(NC(=O)C(C)(C)SC(C)C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
NPSR1 Q6W5P4 4/20 0.48
GRIN2C Q14957 1/20 0.44
MAPT P10636 9/20 0.44
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 7/20 0.44
GAA P10253 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL14160349 0.87 GRIN2C (0.48) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3587671 0.86 GFER (0.55) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3595031 0.85 NPSR1 (0.54) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3583282 0.85 NPSR1 (0.54) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3600160 0.83 NPSR1 (0.48) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3593438 0.81 GFER (0.55) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3593442 0.81 NPSR1 (0.52) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3598116 0.81 NPSR1 (0.52) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3587461 0.81 NPSR1 (0.49) GFERNPSR1GRIN2CMAPTALDH1A1
SCHEMBL3597933 0.81 NPSR1 (0.58) GFERNPSR1GRIN2CMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US claimed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP claimed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO claimed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO claimed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA GFER 996/4885NPSR1 706/4885GRIN2C 2476/4885

“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.