SCHEMBL3590682

SCHEMBL3590682

CCc1cc(C(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)c(NC(=O)CNC(C)(C)C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 4/20 0.45
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
CHEK1 O14757 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ABL1 P00519 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GRIN2C Q14957 1/20 0.37
CYP1A2 P05177 1/20 0.37
IDO1 P14902 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
SCHEMBL3581685 0.90 GFER (0.57) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL3589037 0.89 GFER (0.44) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL3580445 0.84 NPSR1 (0.48) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL14160313 0.83 GFER (0.58) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL3582174 0.81 GFER (0.47) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL3593143 0.81 GFER (0.55) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL3593148 0.81 GFER (0.55) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL13462108 0.81 GFER (0.55) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL3586057 0.81 ALDH1A1 (0.52) GFERNPSR1KDM4EMAPTALDH1A1
SCHEMBL3593438 0.78 GFER (0.55) GFERNPSR1KDM4EMAPTALDH1A1

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 5 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
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 706/4885KDM4E 2668/4885

“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.