SCHEMBL6489098

SCHEMBL6489098

COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.75
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.53
CYP2C8 P10632 2/20 0.52
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
MAOB P27338 1/20 0.51
APP P05067 1/20 0.48
EIF4E P06730 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BACE1 P56817 1/20 0.47
PTPN11 Q06124 2/20 0.47
POLB P06746 1/20 0.46
P2RX1 P51575 1/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
PSEN1 P49768 1/20 0.46

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
SCHEMBL29979130 0.89 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6550819 0.89 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL26768653 0.86 SMN1; SMN2 (1.00) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6489788 0.86 ALDH1A1 (0.55) SMN1; SMN2PTGDR2CYP2C8AKR1C3AKR1C2
SCHEMBL6501365 0.85 PTPN11 (0.54) SMN1; SMN2KDM4EPTGDR2CYP2C8MAOB
SCHEMBL6490238 0.84 SMN1; SMN2 (0.82) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6492271 0.82 SMN1; SMN2 (0.84) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5342329 0.82 SMN1; SMN2 (0.84) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6808918 0.81 AKR1C3 (0.55) SMN1; SMN2KDM4ECYP2C19PTGDR2CYP2C8
SCHEMBL6491531 0.81 CYP2C8 (0.56) SMN1; SMN2KDM4ECYP2C8AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1131222-C Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2003-12-17 CN claimed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US claimed
CN-1334808-A Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2002-02-06 CN claimed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP claimed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 WO claimed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 US disclosed
CN-1131222-C Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2003-12-17 CN disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1286670-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-03-05 EP disclosed
CN-1334808-A Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2002-02-06 CN disclosed
WO-2001097810-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-12-27 WO disclosed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 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-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP SMN1; SMN2 4254/4885KDM4E 2556/4885CYP1A2 249/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SMN1; SMN2 1921/4885KDM4E 2286/4885CYP1A2 115/4885

“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.