SCHEMBL4168388

SCHEMBL4168388

Cc1ccc(C)c(/C=C(\C#N)S(=O)(=O)Cc2ccc(F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ TP53 P04637 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4168397 1.00 EGFR (0.39) EGFRERBB2LMNAALDH1A1KDM4E
SCHEMBL4168394 1.00 EGFR (0.39) EGFRERBB2LMNAALDH1A1KDM4E
SCHEMBL4181339 0.89 ALDH1A1 (0.47) LMNAALDH1A1KDM4EHPGDRECQL
SCHEMBL4181335 0.89 ALDH1A1 (0.47) LMNAALDH1A1KDM4EHPGDRECQL
SCHEMBL4181330 0.89 ALDH1A1 (0.47) LMNAALDH1A1KDM4EHPGDRECQL
SCHEMBL4174661 0.88 EGFR (0.39) EGFRERBB2LMNAALDH1A1KDM4E
SCHEMBL4174658 0.88 EGFR (0.39) EGFRERBB2LMNAALDH1A1KDM4E
SCHEMBL4185824 0.88 CYP1A2 (0.40) EGFRERBB2LMNAALDH1A1KDM4E
SCHEMBL4185821 0.88 CYP1A2 (0.40) EGFRERBB2LMNAALDH1A1KDM4E
SCHEMBL4185828 0.88 CYP1A2 (0.40) EGFRERBB2LMNAALDH1A1KDM4E

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 66/4885ERBB2 23/4885LMNA 4621/4885

“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.

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