SCHEMBL2642785

SCHEMBL2642785

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
NTRK1 P04629 5/20 0.40
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 2/20 0.39
KIF11 P52732 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGER3 P43115 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PDE2A O00408 1/20 0.36
CES2 O00748 2/20 0.36
TPSAB1 Q15661 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
SCHEMBL2642800 0.88 ALDH1A1 (0.44) NTRK1KDM4EKIF11CNR1CNR2
SCHEMBL2642580 0.85 HTT (0.47) HTTNTRK1KDM4EIDO1RXRA
SCHEMBL2642679 0.85 HTT (0.50) HTTNTRK1KDM4EIDO1RXRA
SCHEMBL2642669 0.84 IDO1 (0.46) HTTKDM4EIDO1RXRARXRB
SCHEMBL2643468 0.84 HTT (0.46) HTTNTRK1KDM4EIDO1PTGER1
SCHEMBL2643320 0.83 HTT (0.45) HTTNTRK1KDM4EIDO1RXRA
SCHEMBL29644287 0.82 HTT (0.64) HTTKDM4EIDO1KIF11CNR1
SCHEMBL2137224 0.82 HTT (0.64) HTTKDM4EIDO1KIF11CNR1
SCHEMBL2643777 0.82 HTT (0.44) HTTNTRK1KDM4EIDO1RXRA
SCHEMBL29052319 0.80 HTT (0.66) HTTKDM4EIDO1TPSAB1

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 HTT 2902/4885NTRK1 1846/4885KDM4E 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.