SCHEMBL3577460

SCHEMBL3577460

CCc1cc(C(=O)c2ccc(C)c(C)c2)c(NC(=O)CC(C)(C)CC(=O)O)s1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.73
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 4/20 0.53
GRIN2C Q14957 1/20 0.47
KDM4E B2RXH2 5/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL3588541 0.88 GFER (0.73) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3597411 0.87 GFER (0.79) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3592097 0.86 GFER (0.78) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3585472 0.86 GFER (0.78) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3588697 0.85 GFER (0.76) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3585641 0.85 GFER (0.69) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL13436127 0.84 GFER (1.00) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3586979 0.83 GFER (0.82) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3591002 0.82 ALDH1A1 (0.55) GFERALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3591422 0.82 GFER (0.80) GFERALDH1A1MAPTL3MBTL1LMNA

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 996/4885ALDH1A1 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.