SCHEMBL950797

SCHEMBL950797

C=CCOC(=O)CCS(=O)(=O)c1c(Cl)c2cc(Cl)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
GAA P10253 1/20 0.33
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA1 P14867 1/20 0.31
PRKCA P17252 2/20 0.31
PRKCE Q02156 2/20 0.31
RASGRP3 Q8IV61 2/20 0.31

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
SCHEMBL5441049 0.92 MEN1 (0.35) ALDH1A1L3MBTL1KDM4EHPGDATM
SCHEMBL949818 0.87 MDM2 (0.34) ALDH1A1L3MBTL1KDM4EHPGDATM
SCHEMBL948598 0.85 NR1H2 (0.37) ALDH1A1L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL948715 0.84 MEN1 (0.35) ALDH1A1L3MBTL1KDM4EHPGDATM
SCHEMBL948799 0.76 AKR1C3 (0.40) ALDH1A1L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL947384 0.72 AKR1C3 (0.39) NR1H2
SCHEMBL951206 0.72 MDM2 (0.37) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL947189 0.68 NR1H2 (0.42) NR1H2
SCHEMBL948678 0.66 MDM2 (0.39) GABRG2GABRB3GABRA5GABRA1NR1H2
SCHEMBL21731846 0.65 GABRG2 (0.41) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10

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 2246/4885L3MBTL1 2949/4885KDM4E 1356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885L3MBTL1 2955/4885KDM4E 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.