SCHEMBL4169999

SCHEMBL4169999

N#CC(=Cc1ccc(C#N)cc1F)S(=O)(=O)Cc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
RORC P51449 1/20 0.35
IDO1 P14902 2/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.34
PPME1 Q9Y570 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
RAD51 Q06609 1/20 0.33
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
CYP2C19 P33261 1/20 0.33
NLRP3 Q96P20 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL4169998 1.00 LMNA (0.39) LMNARORCIDO1MAOBMAPT
SCHEMBL4169994 1.00 LMNA (0.39) LMNARORCIDO1MAOBMAPT
SCHEMBL4179906 0.88 LMNA (0.51) LMNAMAPTPPME1EGFRERBB2
SCHEMBL4179908 0.88 LMNA (0.51) LMNAMAPTPPME1EGFRERBB2
SCHEMBL4179898 0.88 LMNA (0.51) LMNAMAPTPPME1EGFRERBB2
SCHEMBL4185371 0.85 SIRT2 (0.43) LMNAMAOBMAPTTP53EGFR
SCHEMBL4185378 0.85 SIRT2 (0.43) LMNAMAOBMAPTTP53EGFR
SCHEMBL4185381 0.85 SIRT2 (0.43) LMNAMAOBMAPTTP53EGFR
SCHEMBL4182685 0.79 EGFR (0.36) LMNAMAPTEGFRERBB2NLRP3
SCHEMBL4182678 0.79 EGFR (0.36) LMNAMAPTEGFRERBB2NLRP3

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
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
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 disclosed
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 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 LMNA 4621/4885RORC 742/4885IDO1 1537/4885

“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.