SCHEMBL3596192

SCHEMBL3596192

CCc1cc(C(=O)c2cc(-c3ccccc3)ccc2OC(F)(F)F)c(NC(=O)CSCC(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.41
MAPT P10636 4/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL3580445 0.85 NPSR1 (0.48) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL3583210 0.83 NPSR1 (0.56) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL3588256 0.82 NPSR1 (0.48) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL3597156 0.82 NPSR1 (0.48) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL3586304 0.82 NPSR1 (0.56) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL3589449 0.80 NPSR1 (0.59) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL3585204 0.80 NPSR1 (0.49) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL13436133 0.79 NPSR1 (0.46) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL3585026 0.78 NPSR1 (0.52) NPSR1MAPTGFERALDH1A1KDM4E
SCHEMBL3595926 0.78 NPSR1 (0.57) NPSR1MAPTGFERALDH1A1KDM4E

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 1 patent. 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

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 706/4885MAPT 4061/4885GFER 996/4885

“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.