SCHEMBL2643062

SCHEMBL2643062

CSc1ccc2c(C(=O)O)cn(C(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
GAA P10253 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCAR3 P49019 1/20 0.35
ACE2 Q9BYF1 2/20 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
SCHEMBL2643320 0.83 HTT (0.45) MCL1AKR1C3AKR1C2GAAMEN1
SCHEMBL2706652 0.82 CA12 (0.41) GAACA12CA1CA2CA9
SCHEMBL1622103 0.82 MYC (0.42) MCL1AKR1C3GAACA12CA1
SCHEMBL2642568 0.82 CSNK2A1 (0.42) GAACA12CA1CA2CA9
SCHEMBL2642632 0.81 PTGDR2 (0.42) GAACA1CA2MEN1NPC1
SCHEMBL2643375 0.81 PTGDR2 (0.40) CA12CA1CA2CA9HSD17B10
SCHEMBL2643501 0.78 KDM4E (0.48) AKR1C3AKR1C2GAACA12CA1
SCHEMBL2659622 0.77 LMNA (0.47) AKR1C3AKR1C2CA12CA1CA2
SCHEMBL2642800 0.77 ALDH1A1 (0.44) MCL1MEN1KMT2AHSD17B10
SCHEMBL2082208 0.76 CA12 (0.52) AKR1C3GAACA12CA1CA2

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
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 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-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK MCL1 3318/4885AKR1C3 1290/4885AKR1C2 881/4885

“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.