SCHEMBL196524

SCHEMBL196524

NCC(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 2/20 0.55
PAM P19021 1/20 0.53
TSHR P16473 1/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL248113 0.89 ALDH1A1 (0.65) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL4789964 0.82 CA2 (0.53) L3MBTL1MAPK1ALDH1A1TDP1MEN1
SCHEMBL29046265 0.82 ALDH1A1 (0.49) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL1318640 0.82 L3MBTL1 (0.57) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL27139938 0.82 TSHR (0.58) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL27738415 0.81 MAPK1 (0.61) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL9370013 0.81 TDP1 (0.61) L3MBTL1MAPK1ALDH1A1SMN1; SMN2HTT
SCHEMBL25187337 0.80 ALDH1A1 (0.55) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL27467299 0.80 ALDH1A1 (0.55) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL4641557 0.80 AKR1B1 (0.56) L3MBTL1MAPK1ALDH1A1PAMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO claimed
CN-118225947-B Method for detecting nonsteroidal impurity components in natural source conjugated estrogens 新疆特丰药业股份有限公司 2024-11-05 CN claimed
CN-118225947-A Method for detecting nonsteroidal impurity components in natural source conjugated estrogens 新疆特丰药业股份有限公司 2024-06-21 CN claimed
CN-110068618-B Detection method of intestinal flora metabolites related to nephropathy 中国科学院大连化学物理研究所 2022-02-01 CN claimed
CN-112689755-A Mass spectrometry for detecting and quantifying microflora-related metabolites 梅塔博隆股份有限公司 2021-04-20 CN claimed
CN-109298115-A A variety of metabolin quantitative detecting methods and metabolism chip in biological sample 深圳市绘云生物科技有限公司 2019-02-01 CN claimed
JP-2012500391-A 2012-01-05 JP claimed
EP-2331955-A1 A METHOD OF DIAGNOSING A RESPIRATORY DISEASE The Governors of the University of Alberta (CA) 2011-06-15 EP claimed
WO-2010020058-A1 A METHOD OF DIAGNOSING A RESPIRATORY DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-02-25 WO claimed
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO disclosed
CN-118225947-B Method for detecting nonsteroidal impurity components in natural source conjugated estrogens 新疆特丰药业股份有限公司 2024-11-05 CN disclosed
CN-118225947-B Method for detecting nonsteroidal impurity components in natural source conjugated estrogens 新疆特丰药业股份有限公司 2024-11-05 CN disclosed
CN-118225947-A Method for detecting nonsteroidal impurity components in natural source conjugated estrogens 新疆特丰药业股份有限公司 2024-06-21 CN disclosed
CN-118225947-A Method for detecting nonsteroidal impurity components in natural source conjugated estrogens 新疆特丰药业股份有限公司 2024-06-21 CN disclosed
EP-2331955-A1 A METHOD OF DIAGNOSING A RESPIRATORY DISEASE The Governors of the University of Alberta (CA) 2011-06-15 EP disclosed
WO-2010025303-A9 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2010-06-24 WO disclosed
WO-2010025303-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2010-03-04 WO disclosed
WO-2010020058-A1 A METHOD OF DIAGNOSING A RESPIRATORY DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-02-25 WO disclosed
US-20100008859-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HORIZON THERAPEUTICS U.S. HOLDING LLC 2010-01-14 US disclosed
WO-2009134460-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2009-11-05 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 (1 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-20100008859-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS OAT, SLC1A5, GLS L3MBTL1 2878/4885MAPK1 3981/4885ALDH1A1 765/4885

“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.