SCHEMBL2340153

SCHEMBL2340153

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2D6 P10635 2/20 0.49
CTSD P07339 2/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 4/20 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
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45

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
SCHEMBL9250162 0.87 RAB9A (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL2340156 0.82 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL6573968 0.81 RAB9A (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL7407867 0.81 CTSD (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL124590 0.81 ALDH1A1 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL9249682 0.80 CTSD (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL7415175 0.79 CTSD (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL15264785 0.79 RAB9A (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL18995456 0.78 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL3449783 0.78 TAAR1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1

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 RAB9A 912/4885SMN1; SMN2 1284/4885NPC1 695/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS RAB9A 2181/4885SMN1; SMN2 988/4885NPC1 2820/4885

“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.