SCHEMBL827962

SCHEMBL827962

[O-][S+](C=Cc1ccc(F)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
MAOB P27338 1/20 0.38
DRD2 P14416 2/20 0.37
GPR183 P32249 1/20 0.37
BCL2A1 Q16548 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL827961 1.00 NOS2 (0.41) NOS2MAPTALDH1A1THRBNPC1
SCHEMBL5187606 1.00 NOS2 (0.41) NOS2MAPTALDH1A1THRBNPC1
SCHEMBL3236180 1.00 NOS2 (0.41) NOS2MAPTALDH1A1THRBNPC1
SCHEMBL3236172 1.00 NOS2 (0.41) NOS2MAPTALDH1A1THRBNPC1
SCHEMBL3236465 1.00 NOS2 (0.41) NOS2MAPTALDH1A1THRBNPC1
SCHEMBL828090 0.92 ALDH1A1 (0.41) MAPTALDH1A1NPC1MAOBRAB9A
SCHEMBL828091 0.92 ALDH1A1 (0.41) MAPTALDH1A1NPC1MAOBRAB9A
SCHEMBL3236485 0.92 HSD11B1 (0.41) MAPTHTTMAOB
SCHEMBL3236845 0.92 HSD11B1 (0.41) MAPTHTTMAOB
SCHEMBL3236500 0.92 HSD11B1 (0.41) MAPTHTTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689706-B1 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIV - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-01-11 EP claimed
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP claimed
US-7744889-B2 Alpha, beta-unsaturated sulfoxides for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-06-29 US claimed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US claimed
US-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents ONCONOVA THERAPEUTICS INC. 2006-12-14 US claimed
EP-1689706-B1 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIV - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-01-11 EP disclosed
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP disclosed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US disclosed
US-7744889-B2 Alpha, beta-unsaturated sulfoxides for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-06-29 US disclosed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US disclosed
US-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents ONCONOVA THERAPEUTICS INC. 2006-12-14 US 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-20060280746-A1 (1E)-1-{[(3-amino-4-methoxyphenyl)methyl]sulfinyl}-2-(2,4,6-trimethoxyphenyl)ethene; antiproliferative agents; offers protection from the cytotoxic effects of ionizing radiation and of cytotoxic chemotherapeutic agents SULT1E1, GSTO1, CCNA1 NOS2 1071/4885MAPT 4812/4885ALDH1A1 102/4885
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA NOS2 1088/4885MAPT 3643/4885ALDH1A1 331/4885

“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.