SCHEMBL366058

SCHEMBL366058

NC(=O)c1cc(F)ccc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.68
CES1 P23141 4/20 0.68
KEAP1 Q14145 1/20 0.50
DGAT1 O75907 1/20 0.48
PARP1 P09874 3/20 0.47
MAPK8 P45983 2/20 0.45
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MDM2 Q00987 1/20 0.41
MEN1 O00255 1/20 0.40
IKBKB O14920 1/20 0.40
JAK2 O60674 1/20 0.40
EIF2AK2 P19525 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29537903 1.00 CES2 (0.68) CES2CES1KEAP1DGAT1PARP1
Hydrochloric Acid SCHEMBL4372814 0.98 CES2 (0.65) CES2CES1KEAP1DGAT1PARP1
SCHEMBL29463969 0.84 CES2 (0.52) CES2CES1KEAP1DGAT1PARP1
SCHEMBL12289224 0.82 CES2 (0.56) CES2CES1KEAP1DGAT1PARP1
SCHEMBL293958 0.82 CES2 (0.68) CES2CES1KEAP1DGAT1PARP1
SCHEMBL29758181 0.82 CES2 (0.68) CES2CES1KEAP1DGAT1PARP1
SCHEMBL27673772 0.81 CES2 (0.74) CES2CES1KEAP1CA3CA6
SCHEMBL3180092 0.81 CES2 (1.00) CES2CES1KEAP1CA3CA6
SCHEMBL30564933 0.80 ALDH1A1 (0.56) CES2CES1DGAT1PARP1MAPK8
SCHEMBL910922 0.80 ALDH1A1 (0.56) CES2CES1DGAT1PARP1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565585-A1 COMPOUNDS FOR MODULATING RET PROTEIN Bristol-Myers Squibb Company (US) 2025-06-11 EP claimed
WO-2024030968-A1 COMPOUNDS FOR MODULATING RET PROTEIN BRYSTOL-MYERS SQUIBB COMPANY (US) 2024-02-08 WO claimed
CN-117107375-A Preparation method of meta-aramid superfine fiber, preparation method of meta-aramid composite paper and application of meta-aramid superfine fiber 烟台民士达特种纸业股份有限公司 2023-11-24 CN claimed
CN-111269247-B Preparation method of buprofezin drug molecule with escherichia coli inhibition effect 河南科技大学第一附属医院 2020-11-24 CN claimed
CN-107236468-B Resin type liquid protective film and preparation and use methods thereof 艾威尔电路(深圳)有限公司 2020-03-31 CN claimed
CN-110642741-A Functionalized benzamide derivatives as antiviral agents against HBV infection 巴鲁克斯布隆伯格研究所 2020-01-03 CN claimed
CN-104918612-B Functionalized benzamide derivatives as antiviral agents against HBV infection 巴鲁克斯布隆伯格研究所 2019-10-25 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-107236468-A A kind of resin type liquid protective film and its preparation, application method 艾威尔电路(深圳)有限公司 2017-10-10 CN claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTISUB LLC 2003-04-10 US claimed
WO-2002076987-A1 (OXO-PYRAZOLO[1,5A]PYRIMIDIN-2-YL)ALKYL-CARBOXAMIDES NEUROGEN CORPORATION (US) 2002-10-03 WO claimed
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 US claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
US-5354495-A Homo- or copolymerizable through ethylenic unsaturation NIPPON PAINT CO., LTD. (JP) 1994-10-11 US claimed
EP-0177122-B1 ACRYLAMIDE DERIVATIVES Nippon Paint Co., Ltd. (JP) 1992-04-01 EP claimed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CES2 794/4885CES1 979/4885KEAP1 2410/4885
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents BAD, BAX, MCL1 CES2 1892/4885CES1 1431/4885KEAP1 4003/4885
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 CES2 793/4885CES1 19/4885KEAP1 936/4885

“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.