SCHEMBL4170102

SCHEMBL4170102

N#C/C(=C/c1ccc(Br)cc1)S(=O)(=O)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
PKM P14618 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.39
ACLY P53396 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.37
NLRP3 Q96P20 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ADRA2C P18825 1/20 0.36
GAA P10253 3/20 0.36
POLB P06746 2/20 0.36
ALPG P10696 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4170107 1.00 TSHR (0.42) TSHRPKML3MBTL1KMT2AMEN1
SCHEMBL4170097 1.00 TSHR (0.42) TSHRPKML3MBTL1KMT2AMEN1
SCHEMBL4191833 0.89 ACLY (0.46) TSHRPKML3MBTL1ALDH1A1ACLY
SCHEMBL4191837 0.89 ACLY (0.46) TSHRPKML3MBTL1ALDH1A1ACLY
SCHEMBL4191840 0.89 ACLY (0.46) TSHRPKML3MBTL1ALDH1A1ACLY
SCHEMBL4182848 0.86 ALDH1A1 (0.44) TSHRPKML3MBTL1KMT2AMEN1
SCHEMBL4182854 0.86 ALDH1A1 (0.44) TSHRPKML3MBTL1KMT2AMEN1
SCHEMBL4182852 0.86 ALDH1A1 (0.44) TSHRPKML3MBTL1KMT2AMEN1
SCHEMBL4168132 0.85 TSHR (0.47) TSHRPKML3MBTL1KMT2AMEN1
SCHEMBL4168129 0.85 TSHR (0.47) TSHRPKML3MBTL1KMT2AMEN1

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 TSHR 1154/4885PKM 2657/4885L3MBTL1 3476/4885

“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.