SCHEMBL6914718

SCHEMBL6914718

O=S(=O)(Cc1ccc(Cl)cc1F)c1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 8/20 0.52
METAP2 P50579 4/20 0.52
METAP1 P53582 4/20 0.52
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
MTOR P42345 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM4 Q14833 5/20 0.43
GCK P35557 5/20 0.43

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
SCHEMBL6915949 0.90 CBFB (0.54) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL6915491 0.90 CBFB (0.54) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL6915445 0.89 CBFB (0.55) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL6915957 0.88 CBFB (0.57) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL6916466 0.86 CBFB (0.50) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL6916891 0.86 CBFB (0.54) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL6916422 0.86 CBFB (0.54) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL1822351 0.85 CBFB (0.55) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL6915955 0.85 CBFB (0.55) CBFBMETAP2METAP1NPC1LMNA
SCHEMBL6915845 0.85 CBFB (0.50) CBFBMETAP2METAP1NPC1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912336-B2 Aryl and heteroaryl sulfones as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-16 US disclosed
US-8912336-B2 Aryl and heteroaryl sulfones as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-16 US disclosed
US-20120245185-A1 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2012-09-27 US disclosed
US-20120245185-A1 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2012-09-27 US disclosed
WO-2011057208-A2 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-05-12 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-20120245185-A1 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIK4, GRM2 CBFB 2172/4885METAP2 3608/4885METAP1 3802/4885

“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.