SCHEMBL4114293

SCHEMBL4114293

O=C(CNS(=O)(=O)C1CC1)N[C@@H](CC1CCCO1)C(=O)Nc1ccc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.46
▸ CXCR2 P25025 1/20 0.38
▸ HCAR3 P49019 1/20 0.37
▸ GCK P35557 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PDF Q9HBH1 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ BDKRB1 P46663 1/20 0.36
▸ KMO O15229 1/20 0.35

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
SCHEMBL2668370 0.88 GCK (0.44) GRM5GCKAKT1PDF
SCHEMBL4114224 0.84 GRM5 (0.50) GRM5CXCR2HCAR3LMNASMN1; SMN2
SCHEMBL2668326 0.81 GRM5 (0.54) GRM5CXCR2HCAR3LMNANPC1
SCHEMBL4103721 0.80 GRM5 (0.47) GRM5CXCR2HCAR3LMNANPC1
SCHEMBL2520163 0.78 GRM5 (0.49) GRM5CXCR2HCAR3NPC1RAB9A
SCHEMBL4109054 0.78 GRM5 (0.49) GRM5CXCR2HCAR3NPC1RAB9A
SCHEMBL12201476 0.77 GRM5 (0.56) GRM5CXCR2HCAR3LMNANPC1
SCHEMBL4103735 0.76 GRM5 (0.52) GRM5CXCR2HCAR3LMNATSHR
SCHEMBL12201477 0.76 GRM5 (0.52) GRM5CXCR2HCAR3LMNATSHR
SCHEMBL2657224 0.73 GCK (0.65) GRM5GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173645-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2012-05-08 — — US disclosed
US-20090099163-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2009-04-16 — — 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-20090099163-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GRM5 2182/4885CXCR2 3994/4885HCAR3 3290/4885

“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.

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