SCHEMBL670548

SCHEMBL670548

Nc1ccc(F)c(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 4/20 0.38
GFER P55789 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 3/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL30296903 1.00 KEAP1 (0.44) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL21750024 0.84 KEAP1 (0.45) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL17275022 0.83 CES2 (0.38) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL30739599 0.83 CES2 (0.38) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL2203971 0.83 KEAP1 (0.44) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL365563 0.81 CES2 (0.47) CES2CES1KDM4EKMT2AMEN1
SCHEMBL31258574 0.81 CES2 (0.47) CES2CES1KDM4EKMT2AMEN1
SCHEMBL19565666 0.81 ALDH1A1 (0.38) KEAP1CES2CES1HDAC1HDAC6
SCHEMBL855460 0.81 THRB (0.42) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL20575325 0.79 DPP4 (0.50) KEAP1KDM4EKMT2AGFERRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150597-A1 THERMOSETTING RESIN COMPOSITION, CURED FILM, SUBSTRATE, AND ELECTRONIC COMPONENT JNC株式会社 2024-07-18 WO disclosed
CN-115745878-A Fluorine-containing pyridine bisamide insecticide and acaricide 青岛科技大学 2023-03-07 CN disclosed
CN-114026073-A Quinazolin-4-one derivatives for the treatment of BRAF related diseases and disorders ARRAY生物制药公司 2022-02-08 CN disclosed
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-12-02 US disclosed
EP-3676263-B1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2021-10-06 EP disclosed
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2021-09-21 US disclosed
US-11053230-B2 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. 2021-07-06 US disclosed
EP-3676263-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Netherlands Translational Research Center B.V. (NL) 2020-07-08 EP disclosed
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2020-06-11 US disclosed
US-20200181128-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2020-06-11 US disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
EP-0062659-A4 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES. FMC CORP (US) 1983-01-14 EP disclosed
EP-0062659-A1 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES FMC Corporation (US) 1982-10-20 EP disclosed
US-4339457-A OF CYCLOPROPANECARBOXYLIC ACIDS, INSECTICIDES, MITICIDES FMC CORPORATION (US) 1982-07-13 US disclosed
WO-1982001368-A1 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES FMC CORP (US) 1982-04-29 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 (5 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-11123348-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT KEAP1 77/4885CES2 749/4885CES1 955/4885
US-11053230-B2 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 KEAP1 134/4885CES2 788/4885CES1 472/4885
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KEAP1 77/4885CES2 749/4885CES1 955/4885
US-20200181128-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 KEAP1 134/4885CES2 788/4885CES1 472/4885
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KEAP1 77/4885CES2 749/4885CES1 955/4885

“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.