SCHEMBL1679405

SCHEMBL1679405

[CH2]c1ccc(-c2ccc(NS(=O)(=O)CC=C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.41
HPGD P15428 5/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TGM2 P21980 1/20 0.36
UCHL1 P09936 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PLK4 O00444 2/20 0.34
DAPK3 O43293 2/20 0.34
DYRK3 O43781 2/20 0.34
JAK2 O60674 2/20 0.34
ROCK2 O75116 2/20 0.34
MAP4K4 O95819 2/20 0.34
CDK1 P06493 2/20 0.34
RPS6KB1 P23443 2/20 0.34
CDK2 P24941 2/20 0.34

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
SCHEMBL1679407 0.85 CA1 (0.46) KIF11HPGDLMNAHTTSMN1; SMN2
SCHEMBL1678425 0.85 BRD4 (0.42) KIF11PDE4B
SCHEMBL11663915 0.80 HPGD (0.40) KIF11HPGDLMNAHTTSMN1; SMN2
SCHEMBL321565 0.78 KEAP1 (0.47) HPGDLMNATGM2CA12CA1
SCHEMBL1677968 0.77 PGR (0.43) KIF11HPGDLMNAHTTSMN1; SMN2
SCHEMBL1677967 0.75 PGR (0.42) KIF11HPGDLMNAHTTSMN1; SMN2
SCHEMBL4136706 0.75 HPGD (0.35) KIF11HPGDLMNAHTTSMN1; SMN2
SCHEMBL3632087 0.75 KMT2A (0.48) HPGDLMNAHTTCA12CA1
SCHEMBL27569081 0.75 HTT (0.41) HPGDLMNAHTTSMN1; SMN2TGM2
SCHEMBL7988528 0.74 HPGD (0.64) KIF11HPGDLMNAHTTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US claimed
JP-2007523903-A 2007-08-23 JP claimed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP claimed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO claimed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US claimed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE KIF11 4022/4885HPGD 1252/4885LMNA 4379/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE KIF11 4022/4885HPGD 1252/4885LMNA 4379/4885

“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.