SCHEMBL2338535

SCHEMBL2338535

COc1cc(CCC(O)=S)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
CYP19A1 P11511 1/20 0.47
CALM1 P0DP23 5/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PTGS2 P35354 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
DAO P14920 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL498481 0.80 F2RL1 (0.59) CALM1POLBALDH1A1NFKB1NFKB2
SCHEMBL490401 0.80 FFAR1 (0.56) AKR1B1CYP19A1POLBGAANFKB1
SCHEMBL9491787 0.78 CYP19A1 (0.68) AKR1B1CYP19A1CALM1ALDH1A1PTGS2
SCHEMBL7328673 0.78 F2RL1 (0.56) AKR1B1CYP19A1CALM1ALDH1A1PTGS2
SCHEMBL2337843 0.77 PTPN1 (0.41) ALDH1A1GAAPTPN1MAPK1CYP1A2
SCHEMBL2336218 0.77 PTGS2 (0.57) CYP19A1PTGS2MEN1MAPTKMT2A
SCHEMBL28012705 0.76 AKR1B1 (0.49) AKR1B1CYP19A1CALM1ALDH1A1PTGS2
SCHEMBL16054397 0.76 KDM4E (0.62) AKR1B1CYP19A1CALM1ALDH1A1PTGS2
SCHEMBL5884605 0.74 KMT2A (0.51) AKR1B1CYP19A1POLBALDH1A1GAA
SCHEMBL2338537 0.74 AKR1B1 (0.47) AKR1B1CYP19A1CALM1ALDH1A1PTGS2

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 AKR1B1 844/4885CYP19A1 2558/4885CALM1 2077/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS AKR1B1 514/4885CYP19A1 4132/4885CALM1 2788/4885

“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.