SCHEMBL1270437

SCHEMBL1270437

O=C(O)CSCc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
CA2 P00918 2/20 0.54
CAMK2A Q9UQM7 1/20 0.54
POLB P06746 1/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 2/20 0.47
IDO1 P14902 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 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
SCHEMBL499117 0.83 CYP2C19 (0.64) HTTPOLBCYP1A2CYP2C19MMP12
SCHEMBL2339844 0.82 HTT (0.61) HTTCA2POLBKMT2AMEN1
SCHEMBL17285629 0.82 HTT (0.61) HTTCA2POLBKMT2AMEN1
SCHEMBL12473135 0.82 MEN1 (0.72) HTTPOLBKMT2AMEN1CYP1A2
SCHEMBL9480273 0.82 HTT (0.61) HTTCA2POLBKMT2AMEN1
SCHEMBL11260861 0.82 TP53 (0.62) HTTPOLBKMT2AMEN1ALDH1A1
SCHEMBL8332405 0.82 HTT (0.61) HTTPOLBCYP1A2CYP2C19CYP2D6
SCHEMBL8334278 0.80 MMP12 (0.69) HTTPOLBKMT2AMEN1CYP1A2
SCHEMBL13273688 0.80 MMP12 (0.69) HTTCA2CAMK2APOLBIDO1
SCHEMBL1127787 0.80 ALDH1A1 (0.58) POLBKMT2AMEN1CYP1A2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459576-A1 LIQUID ALKYLATED TRISARYL PHOSPHITE COMPOSITIONS HAVING TWO ALKYL GROUPS WITH DIFFERENT CARBON NUMBER Chemtura Corporation (US) 2012-06-06 EP disclosed
EP-2359819-A1 Substituted styryl benzylsulfones for treating proliferative disorders Temple University - Of The Commonwealth System of Higher Education (US) 2011-08-24 EP disclosed
WO-2011014477-A1 LIQUID ALKYLATED TRISARYL PHOSPHITE COMPOSITIONS HAVING TWO ALKYL GROUPS WITH DIFFERENT CARBON NUMBER CHEMTURA CORPORATION (US) 2011-02-03 WO disclosed
US-6642410-B2 Useful as antiproliferative agents, including, for example, anticancer agents TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-11-04 US disclosed
EP-1305015-A4 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2003-05-21 EP disclosed
EP-1305015-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2003-05-02 EP disclosed
US-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents REDDY E PREMKUMAR (US) 2003-02-20 US disclosed
EP-1268426-A1 4-FORMYL AMINO-N-METHYLPIPERIDINE DERIVATIVES, THE USE THEREOF AS STABILISERS AND ORGANIC MATERIAL STABILISED THEREWITH BASF AKTIENGESELLSCHAFT (DE) 2003-01-02 EP disclosed
US-6486210-B2 SUCH AS ENANTIOMORPHS OF 4-FLUOROSTYRYL-2,3,4,5,6-PENTAFLUOROBENZYLSULFONE; ANTIPROLIFERATIVE/ANTICANCER AGENTS Temple University—Of the Commonwealth System of Higher Education 2002-11-26 US disclosed
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-08-22 US disclosed
EP-1155098-A1 LIQUID CRYSTALLINE SUBSTANCE MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2001-11-21 EP disclosed
WO-2001078712-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-10-25 WO disclosed
WO-2001074777-A1 4-FORMYL AMINO-N-METHYLPIPERIDINE DERIVATIVES, THE USE THEREOF AS STABILISERS AND ORGANIC MATERIAL STABILISED THEREWITH BASF AKTIENGESELLSCHAFT (DE) 2001-10-11 WO disclosed
WO-2000047694-A1 LIQUID CRYSTALLINE SUBSTANCE MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed
EP-0435828-A1 Piperidine-triazine compounds for use as stabilizers for organic materials CIBA-GEIGY AG (CH) 1991-07-03 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-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents MKI67, MCL1, CCNA1 HTT 3670/4885CA2 3943/4885CAMK2A 3163/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS HTT 3547/4885CA2 1209/4885CAMK2A 3223/4885

“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.