SCHEMBL4171792

SCHEMBL4171792

COc1cc(OC)c(/C=C(\C#N)S(=O)(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.40
ACLY P53396 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
TRIM24 O15164 3/20 0.39
BRD1 O95696 3/20 0.39
BRPF1 P55201 3/20 0.39
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38

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
SCHEMBL4171794 1.00 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL4171798 1.00 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL4179081 0.89 KDM4E (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL4179078 0.89 KDM4E (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL4179074 0.89 KDM4E (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL4168132 0.84 TSHR (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL4168122 0.84 TSHR (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL4168129 0.84 TSHR (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL4179391 0.81 ALDH1A1 (0.52) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL4179399 0.81 ALDH1A1 (0.52) MEN1KMT2ARAB9AALDH1A1MAPT

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 MEN1 2503/4885KMT2A 469/4885CA12 2120/4885

“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.