SCHEMBL3587828

SCHEMBL3587828

CCc1cc(C(=O)c2ccc(Cl)c(Cl)c2)c(NC(=O)CN[C@H](C(=O)O)C(C)C)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 6/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 5/20 0.48
KDM4E B2RXH2 5/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GFER P55789 1/20 0.45
POLB P06746 2/20 0.44
GRIN2C Q14957 1/20 0.43
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 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
SCHEMBL3587838 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL3590523 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL3590514 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL3596328 0.82 NPSR1 (0.53) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL3588171 0.82 NPSR1 (0.53) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL3588177 0.82 NPSR1 (0.53) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL3593652 0.78 ALDH1A1 (0.55) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL3588541 0.77 GFER (0.73) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL3580527 0.75 ALDH1A1 (0.53) ALDH1A1MAPTLMNAL3MBTL1NPSR1
SCHEMBL13461949 0.75 ALDH1A1 (0.53) ALDH1A1MAPTLMNAL3MBTL1NPSR1

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 4 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

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 ALDH1A1 1049/4885MAPT 4061/4885LMNA 3605/4885

“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.