SCHEMBL2340149

SCHEMBL2340149

COc1cc(CSCC(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
CYP2C19 P33261 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 2/20 0.46
CTSD P07339 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 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
SCHEMBL27246208 0.82 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL636601 0.81 RAB9A (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL6390381 0.81 RAB9A (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL19361405 0.81 RAB9A (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2C19
Hydrochloric Acid SCHEMBL20531105 0.80 RAB9A (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2C19
Hydrochloric Acid SCHEMBL20531106 0.80 RAB9A (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL19368135 0.79 ALDH1A1 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL498426 0.78 MEN1 (0.71) ALDH1A1SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL2335504 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL9250162 0.78 RAB9A (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2C19

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 375/4885RAB9A 912/4885SMN1; SMN2 1284/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS ALDH1A1 2713/4885RAB9A 2181/4885SMN1; SMN2 988/4885

“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.