SCHEMBL2657030

SCHEMBL2657030

CS(=O)(=O)c1ccc([C@H](CC(=O)Nc2cnccn2)[C@@H]2CCC(=O)C2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 7/20 0.67
▸ KCNH2 Q12809 2/20 0.57
▸ FFAR2 O15552 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PSMB5 P28074 1/20 0.33

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
SCHEMBL27578456 0.84 GCK (0.50) GCKKCNH2
SCHEMBL2642192 0.84 GCK (0.50) GCKKCNH2RAB9ANPC1MAPT
SCHEMBL2653752 0.84 GCK (0.50) GCKKCNH2RAB9ANPC1MAPT
SCHEMBL2642140 0.82 GCK (0.48) GCKKCNH2RAB9ANPC1POLB
SCHEMBL2642234 0.81 GCK (0.47) GCKKCNH2RAB9ANPC1KMT2A
Piragliatin SCHEMBL14423140 0.80 GCK (1.00) GCKKCNH2FFAR2RAB9ANPC1
Piragliatin SCHEMBL2642196 0.80 GCK (1.00) GCKKCNH2FFAR2RAB9ANPC1
Piragliatin SCHEMBL5878119 0.80 GCK (1.00) GCKKCNH2FFAR2RAB9ANPC1
Piragliatin SCHEMBL2642343 0.80 GCK (1.00) GCKKCNH2FFAR2RAB9ANPC1
Piragliatin SCHEMBL2655969 0.80 GCK (1.00) GCKKCNH2FFAR2RAB9ANPC1

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
CN-101641083-A The pharmaceutical solid dosage forms that comprises micro-embedded chemical compound in ionic water-insoluble polymers HOFFMANN LA ROCHE CH 2010-02-03 — — CN claimed
CN-101641083-A The pharmaceutical solid dosage forms that comprises micro-embedded chemical compound in ionic water-insoluble polymers HOFFMANN LA ROCHE CH 2010-02-03 — — CN disclosed
US-20070254895-A1 Crystalline solvate of glucokinase activator CHOI DUK SOON 2007-11-01 — — US disclosed
WO-2007115967-A1 CRYSTALLINE ISOPROPANOL SOLVATE OF GLUCOKINASE ACTIVATOR F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 — — 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-20070254895-A1 Crystalline solvate of glucokinase activator GCKR, GCK, PDXK GCK 2/4885KCNH2 1797/4885FFAR2 353/4885

“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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