SCHEMBL4182721

SCHEMBL4182721

COc1ccc(NS(=O)(=O)/C(C#N)=C\c2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.46
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ POLB P06746 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 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
SCHEMBL4182717 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL4182726 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL4181094 0.85 LMNA (0.47) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL4181090 0.85 LMNA (0.47) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL4181098 0.85 LMNA (0.47) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL4177394 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL4177393 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL4177388 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL4176418 0.81 SMN1; SMN2 (0.44) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL4176422 0.81 SMN1; SMN2 (0.44) ALDH1A1KMT2AMEN1MAPTGAA

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 3 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 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 ALDH1A1 249/4885KMT2A 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.

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