SCHEMBL2339593

SCHEMBL2339593

COc1ccc(CC(OC)C(O)=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
PPARG P37231 4/20 0.51
PPARA Q07869 4/20 0.51
SLC6A4 P31645 1/20 0.50
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.47
PPARD Q03181 3/20 0.44
LTA4H P09960 1/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 1/20 0.43
LMNA P02545 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
SCHEMBL4462284 0.82 LDHA (0.71) LDHAPPARGPPARAPPARD
SCHEMBL4462278 0.82 LDHA (0.71) LDHAPPARGPPARAPPARD
SCHEMBL8430509 0.77 LTA4H (0.56) LDHAPPARGPPARASLC6A4ALDH1A1
SCHEMBL4405215 0.77 LDHA (0.59) LDHAPPARGPPARASLC6A4ALDH1A1
SCHEMBL4455242 0.77 LDHA (0.59) LDHAPPARGPPARASLC6A4ALDH1A1
SCHEMBL1070963 0.74 SLC6A4 (0.63) LDHASLC6A4ALDH1A1CYP1A2CYP2D6
SCHEMBL5636942 0.73 LDHA (0.50) LDHAPPARGSLC6A4ALDH1A1CYP1A2
SCHEMBL6204427 0.73 LDHA (0.58) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL5859651 0.72 LDHA (0.62) LDHAPPARGPPARASLC6A4CYP1A2
SCHEMBL2334749 0.72 SLC6A4 (0.67) LDHASLC6A4CYP1A2CYP2D6CYP2C19

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 LDHA 2927/4885PPARG 4499/4885PPARA 4132/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS LDHA 2202/4885PPARG 3898/4885PPARA 3207/4885

“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.