SCHEMBL831738

SCHEMBL831738

Nc1cc(NS(=O)(=O)CC(=O)O)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.42
MET P08581 6/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 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
SCHEMBL2209213 0.81 ADRA2C (0.43) FFAR4ADRA2CADRA1AADRA1BKMT2A
SCHEMBL7068506 0.81 HPGD (0.49) FFAR4ADRA2CADRA1AADRA1BMAPT
SCHEMBL6202492 0.80 FFAR4 (0.42) FFAR4METADRA2CADRA1AADRA1B
SCHEMBL9321059 0.79 SLC22A12 (0.53) FFAR4
SCHEMBL2244136 0.78 CA1 (0.47) GAAKMT2AKDM4EMEN1NPC1
SCHEMBL1462084 0.77 CYP3A4 (0.48) ROCK2ROCK1
SCHEMBL1122405 0.75 LMNA (0.48) METKMT2AMEN1MAPTRAB9A
Ammonia Solution, Strong SCHEMBL2209211 0.72 ADRA2C (0.55) FFAR4ADRA2CADRA1AADRA1BKDM4E
SCHEMBL14115705 0.72 FFAR4 (0.77) FFAR4GAAKMT2AMEN1GFER
SCHEMBL7064232 0.72 NPC1 (0.46) GAAKMT2AKDM4EMEN1GFER

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-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 US disclosed
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US disclosed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP disclosed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 FFAR4 4690/4885MET 1167/4885ADRA2C 4648/4885

“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.