SCHEMBL2642800

SCHEMBL2642800

CC(C)n1cc(C(=O)O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
KIF11 P52732 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NTRK1 P04629 2/20 0.39
FKBP1A P62942 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
NOTUM Q6P988 1/20 0.39
MPL P40238 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38

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
SCHEMBL2642785 0.88 HTT (0.46) KDM4EKIF11CNR1CNR2NTRK1
SCHEMBL29644294 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL2141012 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL2643375 0.81 PTGDR2 (0.40) ALDH1A1HPGDKDM4EHSD17B10NTRK1
SCHEMBL2586500 0.81 RXRA (0.40) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL2642568 0.80 CSNK2A1 (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1622103 0.80 MYC (0.42) ALDH1A1KDM4EMEN1KMT2ACNR1
SCHEMBL2706652 0.80 CA12 (0.41) ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2642632 0.78 PTGDR2 (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL2643062 0.77 MCL1 (0.47) HSD17B10MEN1KMT2AMCL1

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 ALDH1A1 1377/4885HPGD 3709/4885KDM4E 2630/4885

“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.