SCHEMBL6915955

SCHEMBL6915955

O=S(=O)(Cc1c(F)cccc1F)c1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 12/20 0.55
METAP1 P53582 5/20 0.48
METAP2 P50579 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
PKM P14618 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.48
MTOR P42345 1/20 0.48
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
GCK P35557 1/20 0.44

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
SCHEMBL6916466 0.93 CBFB (0.50) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL6915445 0.92 CBFB (0.55) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL6915949 0.87 CBFB (0.54) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL6915957 0.86 CBFB (0.57) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL6914718 0.85 CBFB (0.52) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL6916891 0.85 CBFB (0.54) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL6915845 0.83 CBFB (0.50) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL1822351 0.81 CBFB (0.55) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL6927147 0.79 CBFB (0.53) CBFBMETAP1METAP2NPC1RAB9A
SCHEMBL6915104 0.79 CBFB (0.53) CBFBMETAP1METAP2NPC1RAB9A

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 2172/4885METAP1 3802/4885METAP2 3608/4885

“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.