SCHEMBL4178429

SCHEMBL4178429

Cc1ccc(C=C(C#N)S(=O)(=O)Cc2ccc(Cl)cc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ IDE P14735 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PKM P14618 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ PPME1 Q9Y570 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL4178425 1.00 EGFR (0.41) EGFRKMT2AMEN1NSD2IDE
SCHEMBL4178420 1.00 EGFR (0.41) EGFRKMT2AMEN1NSD2IDE
SCHEMBL4174928 0.90 KMT2A (0.43) EGFRKMT2AMEN1NSD2IDE
SCHEMBL4174932 0.90 KMT2A (0.43) EGFRKMT2AMEN1NSD2IDE
SCHEMBL4174924 0.90 KMT2A (0.43) EGFRKMT2AMEN1NSD2IDE
SCHEMBL4185359 0.88 PKM (0.46) EGFRKMT2AMEN1ALOX5PTGS1
SCHEMBL4185363 0.88 PKM (0.46) EGFRKMT2AMEN1ALOX5PTGS1
SCHEMBL4185365 0.88 PKM (0.46) EGFRKMT2AMEN1ALOX5PTGS1
SCHEMBL4191715 0.87 BRAF (0.45) EGFRKMT2AMEN1NSD2IDE
SCHEMBL4191711 0.87 BRAF (0.45) EGFRKMT2AMEN1NSD2IDE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — US claimed
EP-2046322-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2009-04-15 — — EP claimed
WO-2008016682-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-02-07 — — WO claimed
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — US disclosed
EP-2046322-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2009-04-15 — — EP disclosed
WO-2008016682-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-02-07 — — 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 (1 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 EGFR 66/4885KMT2A 469/4885MEN1 2503/4885

“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.

Send feedback