SCHEMBL4181607

SCHEMBL4181607

N#C/C(=C/c1c[nH]c2ccc(Br)cc12)S(=O)(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 3/20 0.48
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CSNK2A1 P68400 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4181603 1.00 RXFP3 (0.48) RXFP3KMT2AMEN1PTGS2MAPT
SCHEMBL4181609 1.00 RXFP3 (0.48) RXFP3KMT2AMEN1PTGS2MAPT
SCHEMBL4185862 0.91 MAPT (0.47) RXFP3KMT2AMEN1MAPTLMNA
SCHEMBL4185859 0.91 MAPT (0.47) RXFP3KMT2AMEN1MAPTLMNA
SCHEMBL4185864 0.91 MAPT (0.47) RXFP3KMT2AMEN1MAPTLMNA
SCHEMBL4177414 0.90 KMT2A (0.46) RXFP3KMT2AMEN1PTGS2MAPT
SCHEMBL4177419 0.90 KMT2A (0.46) RXFP3KMT2AMEN1PTGS2MAPT
SCHEMBL4177418 0.90 KMT2A (0.46) RXFP3KMT2AMEN1PTGS2MAPT
SCHEMBL4180482 0.88 MAPT (0.47) RXFP3KMT2AMEN1PTGS2MAPT
SCHEMBL4180479 0.88 MAPT (0.47) RXFP3KMT2AMEN1PTGS2MAPT

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 1 patent. 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 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 RXFP3 4140/4885KMT2A 469/4885MEN1 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.