SCHEMBL950589

SCHEMBL950589

CC(C)(C)OC(=O)CCS(=O)(=O)c1ccc2cc(C(N)=O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HTT P42858 4/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.41
LCK P06239 1/20 0.39
GAA P10253 2/20 0.39
PAX8 Q06710 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
PLAU P00749 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL947274 0.82 ALDH1A1 (0.44) ALDH1A1HTTKDM4EHPGDKMT2A
SCHEMBL948736 0.81 ALDH1A1 (0.43) ALDH1A1HTTKDM4EHPGDKMT2A
SCHEMBL948343 0.81 ALDH1A1 (0.43) ALDH1A1HTTKDM4EHPGDKMT2A
SCHEMBL950224 0.80 ALDH1A1 (0.54) ALDH1A1HTTKDM4EHPGDLCK
SCHEMBL948833 0.80 ALDH1A1 (0.42) ALDH1A1HTTKDM4EHPGDKMT2A
SCHEMBL947442 0.80 ALDH1A1 (0.42) ALDH1A1HTTKDM4EHPGDKMT2A
SCHEMBL7017241 0.73 KMT2A (0.54) ALDH1A1HTTKDM4EKMT2AGAA
SCHEMBL7874061 0.73 ALDH1A1 (0.58) ALDH1A1HTTKDM4EKMT2AGAA
SCHEMBL12115523 0.71 RORC (0.41) KMT2AMEN1
SCHEMBL7019141 0.69 MMP1 (0.46) ALDH1A1HTTKMT2AGAAPAX8

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 2246/4885HTT 1774/4885KDM4E 1356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885HTT 2246/4885KDM4E 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.