SCHEMBL2335504

SCHEMBL2335504

COc1ccc([N+](=O)[O-])cc1CSCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
HPGD P15428 3/20 0.57
LMNA P02545 3/20 0.57
KMT2A Q03164 3/20 0.57
APOBEC3A P31941 1/20 0.57
HTT P42858 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
LCK P06239 1/20 0.52
MEN1 O00255 2/20 0.51
GRK6 P43250 1/20 0.51
HSP90AA1 P07900 1/20 0.48
DNMT1 P26358 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL4364148 0.82 HSD17B10 (0.60) ALDH1A1HPGDLMNAKMT2AAPOBEC3A
SCHEMBL4847499 0.82 HSD17B10 (0.60) ALDH1A1HPGDLMNAKMT2AAPOBEC3A
SCHEMBL6587791 0.80 ALDH1A1 (0.61) ALDH1A1HPGDLMNAKMT2AAPOBEC3A
SCHEMBL6922213 0.80 ALDH1A1 (0.55) ALDH1A1HPGDLMNAKMT2AAPOBEC3A
SCHEMBL2340149 0.78 ALDH1A1 (0.51) ALDH1A1HPGDLMNAKMT2AHTT
SCHEMBL9156278 0.78 ALDH1A1 (0.58) ALDH1A1HPGDLMNAKMT2AHTT
SCHEMBL215804 0.77 TDP1 (0.58) ALDH1A1HPGDLMNAKMT2AAPOBEC3A
SCHEMBL30780913 0.77 TDP1 (0.58) ALDH1A1HPGDLMNAKMT2AAPOBEC3A
SCHEMBL29956084 0.77 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AMEN1HSP90AA1
SCHEMBL8973475 0.77 TDP1 (0.62) ALDH1A1HPGDLMNAKMT2AAPOBEC3A

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
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
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
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
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

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 ALDH1A1 375/4885HPGD 2465/4885LMNA 2831/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS ALDH1A1 2713/4885HPGD 2714/4885LMNA 2399/4885

“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.