SCHEMBL4185852

SCHEMBL4185852

Cc1ccc(NS(=O)(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
JAK2 O60674 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL4185856 1.00 PTGES2 (0.41) PTGES2TP53PKMHPGDKMT2A
SCHEMBL4185860 1.00 PTGES2 (0.41) PTGES2TP53PKMHPGDKMT2A
SCHEMBL4188573 0.89 CYTH2 (0.44) PTGES2PKMHPGDKMT2ALMNA
SCHEMBL4188578 0.89 CYTH2 (0.44) PTGES2PKMHPGDKMT2ALMNA
SCHEMBL4188580 0.89 CYTH2 (0.44) PTGES2PKMHPGDKMT2ALMNA
SCHEMBL4179125 0.88 PTGES2 (0.54) PTGES2PKMHPGDKMT2ALMNA
SCHEMBL4179117 0.88 PTGES2 (0.54) PTGES2PKMHPGDKMT2ALMNA
SCHEMBL4179123 0.88 PTGES2 (0.54) PTGES2PKMHPGDKMT2ALMNA
SCHEMBL4171800 0.87 KMT2A (0.41) PTGES2PKMHPGDKMT2ALMNA
SCHEMBL4171795 0.87 KMT2A (0.41) PTGES2PKMHPGDKMT2ALMNA

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 PTGES2 1556/4885TP53 455/4885PKM 2657/4885

“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.