SCHEMBL3569892

SCHEMBL3569892

CC(=O)CC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.66
GSK3B P49841 2/20 0.61
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MMP1 P03956 1/20 0.57
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
PDPK1 O15530 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL11139436 0.95 PTPN1 (0.60) PTPN1GSK3BMAPTALDH1A1MMP1
SCHEMBL29987081 0.88 PTPN1 (0.75) PTPN1GSK3BMAPTALDH1A1MMP1
Trifluoromethylbenzene SCHEMBL28705987 0.87 PTPN1 (0.56) PTPN1GSK3BMAPTALDH1A1MMP1
SCHEMBL2003577 0.83 KMT2A (0.52) PTPN1GSK3BMAPTALDH1A1CES1
SCHEMBL1986727 0.83 ALDH1A1 (0.69) PTPN1GSK3BMAPTALDH1A1MMP1
SCHEMBL1177079 0.82 RAB9A (0.70) MAPTALDH1A1HDAC1HDAC8HDAC3
SCHEMBL1643579 0.82 PTPN1 (0.73) PTPN1GSK3BMAPTALDH1A1MMP1
SCHEMBL6602154 0.81 PTPN1 (0.62) PTPN1GSK3BMAPTALDH1A1MMP1
SCHEMBL830420 0.81 PTPN1 (0.62) PTPN1GSK3BMAPTALDH1A1MMP1
SCHEMBL19919893 0.81 PTPN1 (0.67) PTPN1GSK3BMAPTALDH1A1MMP1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655700-B Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2023-07-18 CN disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
EP-3448843-B1 ARYL BETA DIKETONES AND THEIR USE A ODORANTS GIVAUDAN SA (CH) 2021-02-24 EP disclosed
CN-111655700-A Benzyl-, (pyridin-3-yl) methyl-or (pyridin-4-yl) methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2020-09-11 CN disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
EP-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 EP disclosed
EP-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
US-6498174-B1 AGONISTS TO PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; MODULATING BLOOD GLUCOSE AND LIPID LEVELS; REDUCING DYSLIPIDEMIA AND HYPERINSULINEMIA ASSOCIATED WITH IMPAIRED GLUCOSE TOLERANCE OR METABOLIC SYNDROME SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 WO disclosed
EP-1102757-A1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-05-30 EP disclosed
WO-2000008002-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2000-02-17 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 (4 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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 PTPN1 2323/4885GSK3B 1321/4885MAPT 658/4885
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS MBOAT4, GIPR, ADIPOR1 PTPN1 506/4885GSK3B 2726/4885MAPT 3000/4885
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, ADIPOR1, GIPR PTPN1 447/4885GSK3B 2851/4885MAPT 3379/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG PTPN1 1613/4885GSK3B 1052/4885MAPT 4551/4885

“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.