SCHEMBL1033653

SCHEMBL1033653

COC(=O)c1sc2cc(C(F)(F)F)ccc2c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CFTR P13569 1/20 0.44
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CSNK1D P48730 3/20 0.39
DYRK1A Q13627 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL693338 0.83 MAPT (0.51) ALDH1A1CFTRMAPTNPSR1CSNK1D
SCHEMBL6844839 0.83 ALDH1A1 (0.48) ALDH1A1CFTRMAPTNPSR1CSNK1D
SCHEMBL717432 0.83 ALDH1A1 (0.48) ALDH1A1CFTRMAPTNPSR1CSNK1D
SCHEMBL2961556 0.82 ALDH1A1 (0.59) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL693546 0.82 ALDH1A1 (0.47) ALDH1A1CFTRMAPTNPSR1CSNK1D
SCHEMBL31079664 0.82 ALDH1A1 (0.59) ALDH1A1CFTRMAPTNPSR1MAPK1
SCHEMBL1030581 0.81 ALDH1A1 (0.43) ALDH1A1CFTRMAPTNPSR1CSNK1D
SCHEMBL2428432 0.80 MAPK1 (0.41) ALDH1A1MAPTNPSR1DYRK1AMAPK1
SCHEMBL4655112 0.80 ALDH1A1 (0.46) ALDH1A1CFTRMAPTNPSR1CSNK1D
SCHEMBL5370427 0.79 DYRK1A (0.49) ALDH1A1CFTRMAPTNPSR1CSNK1D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424917-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2019-01-09 EP disclosed
EP-2277874-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO (JP) 2018-06-27 EP disclosed
US-8648208-B2 Activating agent for peroxisome proliferator activated receptor NIPPON CHEMIPHAR CO. LTD. (JP) 2014-02-11 US disclosed
US-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO. LTD. (JP) 2011-04-28 US disclosed
EP-2277874-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2011-01-26 EP 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-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR PPARA, PPARG, PPARD ALDH1A1 657/4885CFTR 1333/4885MAPT 4843/4885

“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.