SCHEMBL9959892

SCHEMBL9959892

O=S(=O)(Nc1c[nH]nn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
KEAP1 Q14145 2/20 0.48
IL1RN P18510 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.47
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL1093985 0.74 ALDH1A1 (0.50) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29221914 0.73 TSHR (0.47) GAAALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL1667129 0.73 KDM4E (0.75) GAAKDM4EALDH1A1HSD17B10LMNA
SCHEMBL4660423 0.72 POLB (0.51) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL30887796 0.72 KEAP1 (0.53) KDM4EALDH1A1KEAP1LMNAPKM
SCHEMBL29221913 0.72 ALDH1A1 (0.36) GAAKDM4EALDH1A1LMNAPOLB
SCHEMBL28321859 0.71 EDNRA (0.52) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL1094175 0.70 GAA (0.58) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6820319 0.69 HTR6 (0.48) KDM4EALDH1A1HSD17B10LMNAPKM
SCHEMBL10931 0.69 KEAP1 (0.58) ALDH1A1HPGDKEAP1IL1RNERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655355-B1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-03-18 EP disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
EP-2655355-A1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-10-30 EP disclosed
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012085127-A1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors CDK2, TNNI3K, CDK1 GAA 1133/4885KDM4E 1208/4885ALDH1A1 3163/4885

“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.