SCHEMBL3580445

SCHEMBL3580445

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.48
GFER P55789 1/20 0.47
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHEK1 O14757 1/20 0.39
ABL1 P00519 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL3583210 0.92 NPSR1 (0.56) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL3585204 0.91 NPSR1 (0.49) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL3589449 0.90 NPSR1 (0.59) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL13436133 0.88 NPSR1 (0.46) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL3596192 0.85 NPSR1 (0.41) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL3590682 0.84 GFER (0.47) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL3586304 0.83 NPSR1 (0.56) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL3589444 0.83 NPSR1 (0.50) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL3596025 0.82 NPSR1 (0.61) NPSR1GFERKDM4EALDH1A1MAPT
SCHEMBL3593884 0.81 NPSR1 (0.60) NPSR1GFERKDM4EALDH1A1MAPT

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 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
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 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 NPSR1 706/4885GFER 996/4885KDM4E 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.