SCHEMBL5178676

SCHEMBL5178676

CC(C)(C)c1ccc(CNC(=O)Cc2cccc(OC(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
DGAT2 Q96PD7 2/20 0.52
VNN1 O95497 1/20 0.48
EPHX2 P34913 4/20 0.45
NR1H4 Q96RI1 4/20 0.45
CNR1 P21554 1/20 0.45
MAPK14 Q16539 1/20 0.45
FFAR2 O15552 1/20 0.44
DDR1 Q08345 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL5175426 0.85 LMNA (0.78) LMNADGAT2EPHX2NR1H4ERCC1
SCHEMBL3272257 0.85 EPHX2 (0.60) DGAT2VNN1EPHX2NR1H4MAPK14
SCHEMBL5178683 0.81 CNR1 (0.48) VNN1CNR1MAPK14
SCHEMBL5175538 0.79 ERCC1 (0.54) LMNAVNN1EPHX2NR1H4ERCC1
SCHEMBL5188541 0.78 P2RX7 (0.53) LMNAEPHX2NR1H4ERCC1ERCC4
SCHEMBL3581264 0.76 HTR2C (0.53) DGAT2VNN1EPHX2NR1H4MAPK14
SCHEMBL3584100 0.76 MAPK14 (0.53) DGAT2EPHX2NR1H4MAPK14FFAR2
SCHEMBL5177646 0.76 MAPK14 (0.53) DGAT2VNN1EPHX2NR1H4MAPK14
SCHEMBL5633995 0.76 TRPV1 (0.57) VNN1CNR1MAPK14
SCHEMBL3272978 0.74 NR1H4 (0.48) NR1H4

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
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP LMNA 697/4885DGAT2 1375/4885VNN1 3144/4885

“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.