SCHEMBL3582687

SCHEMBL3582687

CCc1cc(C(=O)c2ccc(Cl)cc2)c(NC(=O)c2ccc(OCC(=O)O)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.57
ALDH1A1 P00352 9/20 0.55
MAPT P10636 7/20 0.55
KDM4E B2RXH2 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
RAB9A P51151 1/20 0.55
GFER P55789 1/20 0.53
GRIN2C Q14957 1/20 0.52
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL3585588 0.87 NPSR1 (0.54) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3576658 0.86 NPSR1 (0.55) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3586151 0.80 NPSR1 (0.50) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3593253 0.79 NPSR1 (0.59) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3589035 0.77 NPSR1 (0.67) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3591427 0.77 NPSR1 (0.49) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3597401 0.76 NPSR1 (0.55) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3584369 0.76 MAPT (0.59) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3588494 0.76 NPSR1 (0.52) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13436124 0.75 NPSR1 (0.77) NPSR1ALDH1A1MAPTKDM4ESMN1; SMN2

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 12 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
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP claimed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO claimed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO 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 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.