SCHEMBL1679407

SCHEMBL1679407

C=CCS(=O)(=O)Nc1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
KIF11 P52732 3/20 0.44
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TGM2 P21980 1/20 0.39
UCHL1 P09936 1/20 0.38
FKBP1A P62942 1/20 0.38
THRB P10828 1/20 0.38
PDE4B Q07343 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1678426 0.85 BRD4 (0.47) KIF11HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL1679405 0.85 KIF11 (0.41) CA1CA2KIF11HPGDKMT2A
SCHEMBL11663915 0.79 HPGD (0.40) CA1CA2KIF11HPGDKMT2A
SCHEMBL12717441 0.77 SYK (0.42) HPGDLMNASMN1; SMN2ALDH1A1THRB
SCHEMBL321565 0.77 KEAP1 (0.47) CA1CA2HPGDMEN1KMT2A
SCHEMBL1677968 0.76 PGR (0.43) CA1CA2KIF11HPGDLMNA
SCHEMBL1677967 0.74 PGR (0.42) CA1CA2KIF11HPGDLMNA
SCHEMBL7262812 0.74 HPGD (0.67) CA1CA2KIF11HPGDMEN1
SCHEMBL4136706 0.74 HPGD (0.35) CA1CA2KIF11HPGDKMT2A
SCHEMBL27569081 0.73 HTT (0.41) CA1CA2HPGDMEN1KMT2A

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 CA1 621/4885CA2 165/4885KIF11 4022/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CA1 621/4885CA2 165/4885KIF11 4022/4885

“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.