SCHEMBL5779021

SCHEMBL5779021

O[CH]c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
RPS6KA3 P51812 1/20 0.43
JAK3 P52333 1/20 0.43
PTGS1 P23219 1/20 0.38
IDO1 P14902 3/20 0.37
TDO2 P48775 1/20 0.37
MAPT P10636 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NQO2 P16083 1/20 0.36
CYP1A2 P05177 1/20 0.34
NFE2L2 Q16236 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL16957173 0.89 GABRA1 (0.43) CES2RPS6KA3JAK3PTGS1IDO1
SCHEMBL16957644 0.86 RXRA (0.37) CES2RPS6KA3JAK3PTGS1RXRA
SCHEMBL16959654 0.84 CES2 (0.34) CES2RPS6KA3JAK3PTGS1NQO2
SCHEMBL16957386 0.84 AHR (0.48) CES2RPS6KA3JAK3PTGS1
SCHEMBL16957678 0.84 NOTUM (0.43) CES2RPS6KA3JAK3PTGS1IDO1
SCHEMBL16954371 0.80 IDO1 (0.37) CES2RPS6KA3JAK3PTGS1IDO1
SCHEMBL16951237 0.80 IDO1 (0.36) CES2RPS6KA3JAK3PTGS1IDO1
SCHEMBL16953751 0.80 PTGS1 (0.50) PTGS1MAPTRXRARXRBRXRG
SCHEMBL16951897 0.80 FFAR4 (0.34) CES2RPS6KA3JAK3PTGS1NFE2L2
SCHEMBL16956898 0.80 RXRA (0.42) CES2RPS6KA3JAK3RXRARXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006521344-A 2006-09-21 JP claimed
CN-1795177-A 1, 2, 4-substituted 1, 2, 3, 4-tetrahydro-and 1, 2 dihydro-quinolines and 1, 2, 3, 4-tetrahydro-quinoxaline derivatives as CETP inhibitors for the treatment of atherosclerosis and obesity PFIZER PROD INC (US) 2006-06-28 CN claimed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US claimed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO claimed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 EP claimed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US claimed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 WO claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-1795177-A 1, 2, 4-substituted 1, 2, 3, 4-tetrahydro-and 1, 2 dihydro-quinolines and 1, 2, 3, 4-tetrahydro-quinoxaline derivatives as CETP inhibitors for the treatment of atherosclerosis and obesity PFIZER PROD INC (US) 2006-06-28 CN disclosed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US disclosed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 EP disclosed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US disclosed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 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 (2 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-20060122224-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 CES2 487/4885RPS6KA3 2488/4885JAK3 3476/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 CES2 487/4885RPS6KA3 2488/4885JAK3 3476/4885

“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.