SCHEMBL4185232

SCHEMBL4185232

COc1ccc(C=C(C#N)S(=O)(=O)Cc2ccc(F)cc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.49
▸ TUBB1 Q9H4B7 6/20 0.46
▸ TUBB4A P04350 3/20 0.46
▸ TUBB P07437 3/20 0.46
▸ TUBA3C P0DPH7 3/20 0.46
▸ TUBA1B P68363 3/20 0.46
▸ TUBA4A P68366 3/20 0.46
▸ TUBB4B P68371 3/20 0.46
▸ TUBB3 Q13509 3/20 0.46
▸ TUBB2A Q13885 3/20 0.46
▸ TUBB8 Q3ZCM7 3/20 0.46
▸ TUBA3E Q6PEY2 3/20 0.46
▸ TUBA1A Q71U36 3/20 0.46
▸ TUBA1C Q9BQE3 3/20 0.46
▸ TUBB6 Q9BUF5 3/20 0.46
▸ TUBB2B Q9BVA1 3/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ MPO P05164 1/20 0.45

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
SCHEMBL4185221 1.00 EGFR (0.49) EGFRTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4185229 1.00 EGFR (0.49) EGFRTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4180325 0.89 EGFR (0.49) EGFRTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4180321 0.89 EGFR (0.49) EGFRTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4180326 0.89 EGFR (0.49) EGFRTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4182912 0.83 EGFR (0.58) EGFRALDH1A1MEN1HPGDKMT2A
SCHEMBL4182904 0.83 EGFR (0.58) EGFRALDH1A1MEN1HPGDKMT2A
SCHEMBL4182910 0.83 EGFR (0.58) EGFRALDH1A1MEN1HPGDKMT2A
SCHEMBL4168075 0.82 PKM (0.54) EGFRALDH1A1MEN1HPGDKMT2A
SCHEMBL4168077 0.82 PKM (0.54) EGFRALDH1A1MEN1HPGDKMT2A

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 66/4885TUBB1 704/4885TUBB4A 1786/4885

“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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