SCHEMBL2896017

SCHEMBL2896017

NC(CF)(Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
GRM3 Q14832 1/20 0.45
ENPP2 Q13822 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CTBP2 P56545 1/20 0.42
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL25578509 0.86 ENPP2 (0.43) GRM2GRM3ENPP2DRD2DRD1
SCHEMBL6716632 0.84 CTBP2 (0.45) GRM2GRM3ENPP2SMN1; SMN2HIF1A
SCHEMBL2212930 0.83 SMN1; SMN2 (0.60) SMN1; SMN2HIF1ATAAR1ARG1ARG2
SCHEMBL6724533 0.83 GRM2 (0.47) GRM2GRM3ENPP2SMN1; SMN2HIF1A
SCHEMBL11016121 0.83 GRM2 (0.47) GRM2GRM3ENPP2SMN1; SMN2HIF1A
SCHEMBL2892136 0.82 SPR (0.43) ENPP2DRD2DRD1TAAR1CYP1A2
SCHEMBL6716339 0.81 ARG1 (0.51) GRM2GRM3ENPP2DRD2DRD1
SCHEMBL22033172 0.80 BLM (0.59) SMN1; SMN2HIF1ACTBP2ARG1ARG2
SCHEMBL4245716 0.80 BLM (0.59) SMN1; SMN2HIF1ACTBP2ARG1ARG2
SCHEMBL4245719 0.80 BLM (0.59) SMN1; SMN2HIF1ACTBP2ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342780-A 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE MERRELL-TORAUDE ET CIE (FR) 1982-08-03 US claimed
US-12162902-B2 Decarboxylase inhibitors for treating Parkinson's disease SAIL BIOMEDICINES (US) 2024-12-10 US disclosed
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME SENDA BIOSCIENCES INC (US) 2023-06-15 US disclosed
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME SENDA BIOSCIENCES INC (US) 2023-06-15 US disclosed
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME SENDA BIOSCIENCES INC (US) 2023-06-15 US disclosed
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-08 US disclosed
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE SENDA BIOSCIENCES, INC. 2022-02-17 US disclosed
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE SENDA BIOSCIENCES, INC. 2022-02-17 US disclosed
EP-3891122-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE Senda Biosciences, Inc. (US) 2021-10-13 EP disclosed
CN-113302176-A Decarboxylase inhibitors for the treatment of parkinson's disease 先达生物科技公司 2021-08-24 CN disclosed
WO-2020118163-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE KINTAI THERAPEUTICS, INC. (US) 2020-06-11 WO disclosed
WO-2020118163-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE KINTAI THERAPEUTICS, INC. (US) 2020-06-11 WO disclosed
EP-1814537-B1 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
US-7678783-B2 Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2010-03-16 US disclosed
US-20080269302-A1 Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2008-10-30 US disclosed
CN-101133029-A Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO INC (US) 2008-02-27 CN disclosed
EP-1814537-A2 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006055434-A2 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-05-26 WO disclosed
US-4405530-A Process for preparing fluorinated amino-nitriles MERRELL TORAUDE ET COMPAGNIE (FR) 1983-09-20 US disclosed
US-4342780-A 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE MERRELL-TORAUDE ET CIE (FR) 1982-08-03 US 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-12162902-B2 Decarboxylase inhibitors for treating Parkinson's disease DDC, DDT, DDO GRM2 962/4885GRM3 1453/4885ENPP2 1378/4885
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PARK7, SNCA, RHOT2 GRM2 517/4885GRM3 758/4885ENPP2 252/4885
US-20080269302-A1 Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 GRM2 1389/4885GRM3 944/4885ENPP2 290/4885
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE DDC, DDT, DDO GRM2 962/4885GRM3 1453/4885ENPP2 1378/4885
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME COMT, SNCA, PARK7 GRM2 436/4885GRM3 388/4885ENPP2 791/4885

“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.