SCHEMBL4568020

SCHEMBL4568020

CCc1ccc(CC(=O)c2ccccc2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.40
BRD4 O60885 1/20 0.40
HDAC1 Q13547 1/20 0.40
CNR2 P34972 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.39
PPARA Q07869 4/20 0.39
PPARD Q03181 2/20 0.39
SLC7A5 Q01650 1/20 0.38
SYK P43405 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RAB9A P51151 1/20 0.37
MAPK14 Q16539 1/20 0.37
GLS O94925 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
SCHEMBL4568022 0.84 EPHX1 (0.45) CNR2RAB9A
SCHEMBL17230169 0.84 NR1H4 (0.48) BRD4CNR2SUCNR1BRD9CA12
SCHEMBL4568012 0.84 KMT2A (0.45) RAB9A
SCHEMBL4568027 0.83 CYP17A1 (0.38) PPARGBRD4HDAC1CNR2PPARA
SCHEMBL4568365 0.83 KMT2A (0.41) SLC7A5RAB9A
SCHEMBL4568065 0.83 BRD4 (0.38) BRD4HDAC1CNR2SUCNR1BRD9
SCHEMBL4568364 0.81 POLQ (0.39) BRD4CNR2SUCNR1BRD9
SCHEMBL4568376 0.77 MEN1 (0.43) BRD4BRD9RAB9A
SCHEMBL8761774 0.76 KMT2A (0.42) RAB9A
SCHEMBL4568367 0.76 MEN1 (0.43) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R PPARG 500/4885BRD4 162/4885HDAC1 566/4885

“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.