SCHEMBL4174340

SCHEMBL4174340

COc1ccc(/C=C(\C#N)S(=O)(=O)Nc2ccc(Br)cc2)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
MAPT P10636 8/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 4/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
ABCB1 P08183 1/20 0.38
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
ALOX12 P18054 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 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
SCHEMBL4174348 1.00 TP53 (0.40) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL4174346 1.00 TP53 (0.40) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL4189533 0.89 MEN1 (0.42) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL4189540 0.89 MEN1 (0.42) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL4189537 0.89 MEN1 (0.42) TP53MAPTSMN1; SMN2GAAKMT2A
SCHEMBL4189415 0.83 KDM4E (0.50) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4189421 0.83 KDM4E (0.50) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4189424 0.83 KDM4E (0.50) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4175133 0.81 CA12 (0.50) MAPTSMN1; SMN2GAAKMT2ANPC1
SCHEMBL4175126 0.81 CA12 (0.50) MAPTSMN1; SMN2GAAKMT2ANPC1

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 TP53 455/4885MAPT 3633/4885SMN1; SMN2 448/4885

“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.