Sugi Predict

Sugi Predict / Compounds / SCHEMBL1144429

SCHEMBL1144429

SCHEMBL1144429

CNC(CC(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ ATM Q13315 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ EEF2K O00418 3/20 0.49
▸ GABBR2 O75899 1/20 0.48
▸ GABBR1 Q9UBS5 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP26A1 O43174 1/20 0.46
▸ HTR1D P28221 2/20 0.46
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL167045 1.00 ALDH1A1 (0.59) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL2300538 1.00 ALDH1A1 (0.59) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL6790697 0.93 ALDH1A1 (0.54) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL24115263 0.86 ALDH1A1 (0.57) ALDH1A1ATMMAPTHTR1DCYP2C19
SCHEMBL13593226 0.86 ALDH1A1 (0.57) ALDH1A1ATMMAPTHTR1DCYP2C19
SCHEMBL28638350 0.85 ALDH1A1 (0.49) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL17773011 0.85 ALDH1A1 (0.44) ALDH1A1ATML3MBTL1EEF2KMAPT
SCHEMBL15787346 0.85 CYP26A1 (0.54) ALDH1A1ATML3MBTL1MAPTSMN1; SMN2
SCHEMBL1528607 0.85 ALDH1A1 (0.44) ALDH1A1ATML3MBTL1EEF2KMAPT
SCHEMBL15787300 0.85 CYP26A1 (0.54) ALDH1A1ATML3MBTL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114586786-B Application of 2-methylamino-3-phenylpropionic acid or derivative thereof in preparation of growth regulator 南京天秾生物技术有限公司 2023-05-26 — — CN disclosed
CN-114586786-A Application of 2-methylamino-3-phenylpropionic acid or derivative thereof in preparation of growth regulator 南京天秾生物技术有限公司 2022-06-07 — — CN disclosed
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 — — US disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 — — EP disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 — — EP disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 — — US disclosed
WO-2016081522-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2016-05-26 — — WO disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 — — US disclosed
EP-1135374-B9 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-02-21 — — EP disclosed
CN-1297546-C N- (arylsulfonyl) -beta-amino acid derivatives with substituted aminomethyl group, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-01-31 — — CN disclosed
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 — — US disclosed
CN-1541211-A Derivatives of N-(arylsulfonyl) beta-aminoacids comprising substituted aminomethyl group, prepn. method thereof and pharmaceutical compsns. contg same ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-10-27 — — CN disclosed
EP-1448525-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-08-25 — — EP disclosed
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 — — US disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2003-05-22 — — WO disclosed
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 — — US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 — — EP 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-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 ALDH1A1 1069/4885ATM 3619/4885L3MBTL1 4651/4885
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 ALDH1A1 37/4885ATM 625/4885L3MBTL1 1812/4885
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 ALDH1A1 4054/4885ATM 2138/4885L3MBTL1 3236/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 ALDH1A1 4427/4885ATM 3662/4885L3MBTL1 2559/4885
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B ALDH1A1 3359/4885ATM 2716/4885L3MBTL1 978/4885

“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.