SCHEMBL4172456

SCHEMBL4172456

COc1ccc(NS(=O)(=O)/C(C#N)=C\c2ccccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
PGR P06401 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL4172453 1.00 CA1 (0.46) CA1CA2MEN1KMT2APOLB
SCHEMBL4172457 1.00 CA1 (0.46) CA1CA2MEN1KMT2APOLB
SCHEMBL4185243 0.88 KDM4E (0.51) CA1CA2MEN1KMT2APOLB
SCHEMBL4185240 0.88 KDM4E (0.51) CA1CA2MEN1KMT2APOLB
SCHEMBL4185249 0.88 KDM4E (0.51) CA1CA2MEN1KMT2APOLB
SCHEMBL4179315 0.83 CA1 (0.41) CA1CA2MEN1KMT2APOLB
SCHEMBL4179310 0.83 CA1 (0.41) CA1CA2MEN1KMT2APOLB
SCHEMBL4179317 0.83 CA1 (0.41) CA1CA2MEN1KMT2APOLB
SCHEMBL4172485 0.82 MEN1 (0.52) CA1CA2MEN1KMT2APOLB
SCHEMBL4172491 0.82 MEN1 (0.52) CA1CA2MEN1KMT2APOLB

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 2 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
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 CA1 3291/4885CA2 3164/4885MEN1 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.