SCHEMBL17073597

SCHEMBL17073597

Cc1ccc(CC(=O)C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.64
HPGD P15428 3/20 0.49
CTBP2 P56545 1/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL10431529 0.81 CES1 (0.67) CES1CTBP2LMNARAB9ANPC1
SCHEMBL11389533 0.81 HPGD (0.55) CES1HPGDCTBP2KMT2ASMN1; SMN2
SCHEMBL28264746 0.79 CES1 (0.64) CES1FAAHCA2
SCHEMBL8799245 0.79 CES1 (0.64) CES1HPGDCTBP2KMT2ASMN1; SMN2
SCHEMBL28268026 0.79 CES1 (0.64) CES1HPGDKMT2ASMN1; SMN2GAA
SCHEMBL17210682 0.79 CES1 (0.58) CES1CTBP2SMN1; SMN2ALDH1A1
SCHEMBL1042453 0.78 CES1 (1.00) CES1KMT2AMEN1FAAH
SCHEMBL5709778 0.78 CES1 (1.00) CES1KMT2AMEN1FAAH
SCHEMBL28708887 0.77 CES1 (0.61) CES1CTBP2L3MBTL1NPC1ALDH1A1
SCHEMBL583920 0.76 CES1 (0.78) CES1HPGDKMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE 2023-06-22 US disclosed
CN-109608323-B Beta-trifluoromethyl-beta-hydroxy substituted cyclohexanone derivative and synthesis method thereof 华南理工大学 2021-07-20 CN disclosed
CN-111886283-A Chemical process for the preparation of covalent adaptive networks 罗伯特·博世有限公司 2020-11-03 CN disclosed
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
US-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-10-08 US disclosed
US-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-10-08 US disclosed
WO-2015134536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-09-11 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-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SARS1, ACE2, ACE CES1 930/4885HPGD 3870/4885CTBP2 2316/4885
US-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA CES1 2422/4885HPGD 2520/4885CTBP2 2300/4885

“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.