SCHEMBL713051

SCHEMBL713051

COC(=O)c1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
BCL2A1 Q16548 3/20 0.52
MCL1 Q07820 2/20 0.52
HTT P42858 1/20 0.49
PTGER3 P43115 2/20 0.49
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER2 P43116 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 3/20 0.45
USP8 P40818 3/20 0.45
TP53 P04637 1/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL711338 0.91 MCL1 (0.63) ALDH1A1BCL2A1MCL1HTTPTGER3
SCHEMBL22762345 0.80 MCL1 (0.53) ALDH1A1BCL2A1MCL1MEN1KMT2A
SCHEMBL18152540 0.80 BCL2A1 (0.81) ALDH1A1BCL2A1MCL1SMN1; SMN2MEN1
SCHEMBL28134458 0.80 MAOB (0.46) ALDH1A1BCL2A1MCL1SMN1; SMN2MAPT
SCHEMBL7577636 0.79 ALDH1A1 (0.79) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4895612 0.77 BRD4 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9931423 0.75 CCR2 (0.64) MEN1KMT2APKM
SCHEMBL2609089 0.74 MAOB (0.50) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL22213636 0.74 POLB (0.52) ALDH1A1BCL2A1MCL1SMN1; SMN2MEN1
SCHEMBL3978628 0.74 METAP2 (0.67) ALDH1A1BCL2A1MCL1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK ALDH1A1 832/4885BCL2A1 4591/4885MCL1 4054/4885

“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.