SCHEMBL2335508

SCHEMBL2335508

COc1ccc([N+](=O)[O-])cc1CCC(O)=S

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 5/20 0.50
HTT P42858 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
GAA P10253 2/20 0.47
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
LCK P06239 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 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
SCHEMBL6922213 0.87 ALDH1A1 (0.55) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL2335513 0.83 ALDH1A1 (0.50) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL8973475 0.82 TDP1 (0.62) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL8973826 0.81 TDP1 (0.57) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL7546161 0.80 ALDH1A1 (0.55) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL215804 0.79 TDP1 (0.58) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL30780913 0.79 TDP1 (0.58) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL7532938 0.79 ALDH1A1 (0.54) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL7532923 0.79 ALDH1A1 (0.54) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL7532933 0.79 ALDH1A1 (0.54) ALDH1A1HPGDLMNASMN1; SMN2KMT2A

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.