SCHEMBL2643935

SCHEMBL2643935

CC(C)CCn1cc(C(=O)O)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
CPT1A P50416 1/20 0.43
HTT P42858 1/20 0.42
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
PRPS1 P60891 1/20 0.41
MCL1 Q07820 1/20 0.40
AVPR1A P37288 1/20 0.40
KCNA3 P22001 1/20 0.40
HTR6 P50406 2/20 0.40
KMO O15229 1/20 0.40
MYC P01106 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13619970 0.90 KMT2A (0.44) PTGDR2HTTCNR2CNR1MYC
SCHEMBL2644030 0.86 CPT1A (0.44) PTGDR2CPT1ACNR2CNR1KCNA3
SCHEMBL2643415 0.85 IDO1 (0.47) HTTCNR2CNR1PRPS1AVPR1A
SCHEMBL2642993 0.85 CNR2 (0.48) CPT1ACNR2CNR1PRPS1MCL1
SCHEMBL2642659 0.83 CNR2 (0.51) CNR2CNR1PRPS1ALDH1A1
SCHEMBL13619973 0.82 HPGD (0.50) CNR2CNR1HTR6ALDH1A1MAPT
SCHEMBL2642676 0.82 KDM4E (0.48) CPT1AHTTCNR2CNR1CA1
SCHEMBL2643380 0.82 CNR2 (0.56) CNR2CNR1
SCHEMBL3098967 0.82 HTR6 (0.59) CPT1ACNR2CNR1PRPS1MCL1
SCHEMBL1127285 0.81 PLK1 (0.57) CNR2CNR1PLK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100348596-C Indole-3-carboxamides as glucokinase (GK) activators HOFFMANN LA ROCHE (CH) 2007-11-14 CN disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
CN-1688574-A Indole-3-carboxamides as glucokinase (GK) activators HOFFMANN LA ROCHE (CH) 2005-10-26 CN 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 PTGDR2 2084/4885CPT1A 111/4885HTT 2902/4885

“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.