SCHEMBL3587987

SCHEMBL3587987

CCc1cc(C(=O)c2cnc(OC(C)C)c(Cl)c2)c(NC(=O)CSCC(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.41
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
GRIN2C Q14957 1/20 0.37
S1PR1 P21453 3/20 0.37
S1PR5 Q9H228 2/20 0.37
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
SCHEMBL14160289 0.91 NPSR1 (0.44) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3593829 0.85 NPSR1 (0.48) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3594772 0.84 NPSR1 (0.49) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3593270 0.82 NPSR1 (0.60) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3593652 0.79 ALDH1A1 (0.55) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL14160344 0.79 NPSR1 (0.51) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3592071 0.78 NPSR1 (0.56) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3584369 0.78 MAPT (0.59) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3585741 0.77 FABP4 (0.55) NPSR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3595926 0.77 NPSR1 (0.57) NPSR1ALDH1A1MAPTL3MBTL1LMNA

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 6 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
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 706/4885ALDH1A1 1049/4885MAPT 4061/4885

“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.