SCHEMBL4501707

SCHEMBL4501707

Cc1cc(C(=O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccc(F)cc3)CC2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.44
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A9 P48067 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
TP53 P04637 1/20 0.37
SLC27A1 Q6PCB7 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4515600 0.97 CETP (0.46) CETPPPARDPPARAMAPTPARP1
SCHEMBL4521400 0.95 CETP (0.44) CETPPPARDPPARAMAPTPARP1
SCHEMBL4498481 0.93 POLB (0.44) CETPPPARDPPARAMAPTTP53
SCHEMBL4511561 0.92 CETP (0.43) CETPPPARDPPARAMAPTALDH1A1
SCHEMBL4522410 0.91 PPARD (0.44) CETPPPARDPPARAMAPT
SCHEMBL4516952 0.91 CETP (0.43) CETPPPARDPPARAMAPTTP53
SCHEMBL4517041 0.90 CETP (0.41) CETPPPARDPPARAMAPTTP53
SCHEMBL4520889 0.89 MAPT (0.46) CETPPPARDPPARAMAPTALDH1A1
SCHEMBL4523286 0.88 CACNA1G (0.42) CETPMAPTALDH1A1TP53LMNA
SCHEMBL4522087 0.87 PPARD (0.59) CETPPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203908-A1 Activator for Peroxisome Proliferator-Activated Receptor NIPPON CHEMIPHAR CO., LTD. (JP) 2009-08-13 US disclosed
EP-1897872-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2008-03-12 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-20090203908-A1 Activator for Peroxisome Proliferator-Activated Receptor PPARA, PPARG, PPARD CETP 1172/4885PPARD 3/4885PPARA 1/4885

“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.