SCHEMBL2339110

SCHEMBL2339110

N#Cc1ccc(CCC(O)=S)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
FFAR1 O14842 6/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTBP2 P56545 1/20 0.42
IDO1 P14902 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL1337387 0.80 FFAR1 (0.69) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL13263434 0.80 FFAR1 (0.47) CYP2A6FFAR1KCNJ1KCNH2LOXL2
SCHEMBL10718757 0.79 CTBP2 (0.53) CYP2A6KCNJ1KCNH2LOXL2MAOA
SCHEMBL27383082 0.78 FFAR1 (0.50) CYP2A6FFAR1KCNJ1KCNH2LOXL2
Hydrochloric Acid SCHEMBL7956222 0.78 FFAR1 (0.67) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL1004267 0.78 LOXL2 (0.64) CYP2A6KCNJ1KCNH2LOXL2MAOA
SCHEMBL7338789 0.78 FFAR1 (0.53) CYP2A6FFAR1KCNJ1KCNH2LOXL2
SCHEMBL2339114 0.74 FFAR1 (0.50) CYP2A6FFAR1KCNJ1KCNH2LOXL2
SCHEMBL2412668 0.74 FFAR1 (0.50) CYP2A6FFAR1KCNJ1KCNH2LOXL2
SCHEMBL5315290 0.74 FFAR1 (0.50) CYP2A6FFAR1KCNJ1KCNH2LOXL2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848467-B Preparation method of asymmetric organic persulfate compound 浙江大学 2021-07-20 CN disclosed
CN-111848467-A Preparation method of asymmetric organic persulfate compound 浙江大学 2020-10-30 CN disclosed
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 CYP2A6 4200/4885FFAR1 4257/4885KCNJ1 2212/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS CYP2A6 2789/4885FFAR1 1081/4885KCNJ1 4093/4885

“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.