SCHEMBL947775

SCHEMBL947775

COC(=O)C(CSc1ccc2cc(Cl)ccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
PPARG P37231 5/20 0.45
PPARA Q07869 5/20 0.45
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
CTSL P07711 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK5 Q9Y337 1/20 0.40
CACNA1B Q00975 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL950415 1.00 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL949023 0.90 PPARA (0.56) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL949696 0.90 PPARA (0.56) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL3863441 0.80 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL6652851 0.80 GSTP1 (0.50) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL2951876 0.80 NFKB1 (0.53) ALDH1A1MAPTGSTP1GSTM2PPARG
SCHEMBL2948733 0.80 NFKB1 (0.53) ALDH1A1MAPTGSTP1GSTM2PPARG
SCHEMBL13897546 0.79 CTSS (0.49) ALDH1A1MAPTGSTP1GSTM2PPARG
SCHEMBL3863058 0.79 CTSS (0.49) ALDH1A1MAPTGSTP1GSTM2PPARG
SCHEMBL9459877 0.78 GSTP1 (0.47) ALDH1A1MAPTKDM4EHPGDGSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ALDH1A1 2246/4885MAPT 4771/4885KDM4E 1356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885MAPT 4800/4885KDM4E 1558/4885

“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.