SCHEMBL3597411

SCHEMBL3597411

CCc1cc(C(=O)c2ccccc2)c(NC(=O)CC(C)(C)CC(=O)O)s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.79
NPSR1 Q6W5P4 5/20 0.56
ALDH1A1 P00352 6/20 0.56
MAPT P10636 5/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIN2C Q14957 1/20 0.48
KDM4E B2RXH2 5/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.47
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3588697 0.94 GFER (0.76) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL3586979 0.91 GFER (0.82) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL3585472 0.90 GFER (0.78) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL3592097 0.90 GFER (0.78) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL13436127 0.88 GFER (1.00) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL3577460 0.87 GFER (0.73) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL3588541 0.87 GFER (0.73) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL3591422 0.86 GFER (0.80) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL3585641 0.84 GFER (0.69) GFERNPSR1ALDH1A1MAPTLMNA
SCHEMBL4637248 0.84 GFER (0.71) GFERNPSR1ALDH1A1MAPTLMNA

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 9 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
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO 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
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 GFER 996/4885NPSR1 706/4885ALDH1A1 1049/4885

“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.