SCHEMBL3581969

SCHEMBL3581969

CCC(C)c1cc(C(=O)c2ccc(OC(F)(F)F)cc2)c(NC(=O)CSCC(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 6/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35

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
SCHEMBL3589224 0.92 NPSR1 (0.42) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL3589449 0.85 NPSR1 (0.59) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL3589444 0.84 NPSR1 (0.50) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL3593908 0.83 ALDH1A1 (0.42) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL3583210 0.83 NPSR1 (0.56) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL3587798 0.80 NPSR1 (0.54) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL4779250 0.78 NPSR1 (0.53) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL3596025 0.78 NPSR1 (0.61) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL3589670 0.77 NPSR1 (0.60) NPSR1GFERSMN1; SMN2ALDH1A1GAA
SCHEMBL3580445 0.76 NPSR1 (0.48) NPSR1GFERSMN1; SMN2ALDH1A1GAA

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 NPSR1 706/4885GFER 996/4885SMN1; SMN2 3550/4885

“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.