SCHEMBL2212930

SCHEMBL2212930

NC(CF)(Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
ARG1 P05089 2/20 0.55
ARG2 P78540 2/20 0.55
SLC6A2 P23975 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ODC1 P11926 1/20 0.44
CES1 P23141 2/20 0.41
BLM P54132 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FDPS P14324 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CES2 O00748 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL8351006 0.88 SMN1; SMN2 (0.69) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL25578512 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL4245719 0.85 BLM (0.59) SMN1; SMN2HIF1AARG1ARG2ODC1
SCHEMBL22033172 0.85 BLM (0.59) SMN1; SMN2HIF1AARG1ARG2ODC1
SCHEMBL4245716 0.85 BLM (0.59) SMN1; SMN2HIF1AARG1ARG2ODC1
SCHEMBL12583604 0.85 HIF1A (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL1842425 0.85 HIF1A (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL11265744 0.85 HIF1A (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL2896017 0.83 GRM2 (0.45) SMN1; SMN2HIF1AARG1ARG2TAAR1
SCHEMBL366770 0.82 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO 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-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
US-20150045328-A1 DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-12 US disclosed
EP-1689713-B1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
EP-1689713-A4 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK & CO INC (US) 2009-02-18 EP disclosed
US-7354942-B2 Benzylether and benzylamino beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-04-08 US disclosed
US-20070088165-A1 preventing the formation of insoluble A beta and arresting the production of A beta; beta-site amyloid precursor protein-cleaving enzyme; 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-[methyl(methylsulfonyl)amino]benzamide MERCK SHARP & DOHME LLC 2007-04-19 US disclosed
EP-1689713-A1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-08-16 EP disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
WO-2005051914-A1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-06-09 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 (7 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-20150045328-A1 DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 SMN1; SMN2 3562/4885HIF1A 2285/4885ARG1 3016/4885
US-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB SMN1; SMN2 57/4885HIF1A 518/4885ARG1 165/4885
US-12162902-B2 Decarboxylase inhibitors for treating Parkinson's disease DDC, DDT, DDO SMN1; SMN2 983/4885HIF1A 4436/4885ARG1 1579/4885
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PARK7, SNCA, RHOT2 SMN1; SMN2 24/4885HIF1A 4527/4885ARG1 3585/4885
US-20070088165-A1 preventing the formation of insoluble A beta and arresting the production of A beta; beta-site amyloid precursor protein-cleaving enzyme; 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-[methyl(methylsulfonyl)amino]benzamide BACE1, BACE2, APP SMN1; SMN2 356/4885HIF1A 2734/4885ARG1 1899/4885
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE DDC, DDT, DDO SMN1; SMN2 983/4885HIF1A 4436/4885ARG1 1579/4885
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME COMT, SNCA, PARK7 SMN1; SMN2 151/4885HIF1A 3718/4885ARG1 655/4885

“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.