SCHEMBL2335514

SCHEMBL2335514

COC(Cc1cccc([N+](=O)[O-])c1)C(O)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 1/20 0.47
MAOB P27338 3/20 0.45
MAOA P21397 1/20 0.45
LMNA P02545 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14923016 0.87 CYP2D6 (0.52) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL14477224 0.78 FFAR1 (0.54) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL2830701 0.76 TSHR (0.57) TSHRCYP2D6CYP2C9CYP2C19RECQL
Hydrochloric Acid SCHEMBL21412744 0.76 TSHR (0.57) TSHRCYP2D6CYP2C9CYP2C19RECQL
Hydrochloric Acid SCHEMBL1645598 0.76 TSHR (0.57) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL4600404 0.76 TSHR (0.61) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL10341513 0.75 CYP2D6 (0.54) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1204526 0.75 CYP2D6 (0.54) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL2828262 0.75 CYP2D6 (0.54) TSHRCYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1204525 0.75 CYP2D6 (0.54) TSHRCYP2D6CYP2C9CYP2C19RECQL

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 TSHR 3468/4885CYP2D6 3810/4885CYP2C9 4435/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS TSHR 604/4885CYP2D6 2646/4885CYP2C9 4750/4885

“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.