SCHEMBL4189159

SCHEMBL4189159

COc1cc(/C=C(\C#N)S(=O)(=O)Nc2ccc(C)cc2C)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
NQO1 P15559 1/20 0.42
NQO2 P16083 1/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL4189163 1.00 EGFR (0.46) EGFRPKMHTTLMNAMAPK1
SCHEMBL4189167 1.00 EGFR (0.46) EGFRPKMHTTLMNAMAPK1
SCHEMBL4172368 0.86 KMT2A (0.44) EGFRPKMHTTLMNAMAPK1
SCHEMBL4172358 0.86 KMT2A (0.44) EGFRPKMHTTLMNAMAPK1
SCHEMBL4172364 0.86 KMT2A (0.44) EGFRPKMHTTLMNAMAPK1
SCHEMBL4171469 0.84 HPGD (0.59) PKMHTTLMNAMAPK1SMN1; SMN2
SCHEMBL4171461 0.84 HPGD (0.59) PKMHTTLMNAMAPK1SMN1; SMN2
SCHEMBL4171465 0.84 HPGD (0.59) PKMHTTLMNAMAPK1SMN1; SMN2
SCHEMBL4189433 0.84 KMT2A (0.44) EGFRPKMHTTLMNAMAPK1
SCHEMBL4177156 0.84 FFAR4 (0.48) EGFRPKMHTTLMNAMAPK1

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 4 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

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 66/4885PKM 2657/4885HTT 1825/4885

“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.