SCHEMBL159001

SCHEMBL159001

COc1ccc(C[C@H](N)C(=O)O)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.73
TPH1 P17752 3/20 0.60
SLC7A5 Q01650 5/20 0.57
PTGS1 P23219 2/20 0.57
ALOX15 P16050 2/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
EGFR P00533 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
HTR2A P28223 1/20 0.57
PTGS2 P35354 1/20 0.57
RECQL P46063 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NR1I2 O75469 1/20 0.56
PPARG P37231 1/20 0.56
AGTR2 P50052 1/20 0.56

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
SCHEMBL31242504 1.00 LDHA (0.73) LDHATPH1SLC7A5PTGS1ALOX15
SCHEMBL30013904 1.00 LDHA (0.73) LDHATPH1SLC7A5PTGS1ALOX15
SCHEMBL159000 1.00 LDHA (0.73) LDHATPH1SLC7A5PTGS1ALOX15
SCHEMBL8009937 1.00 LDHA (0.73) LDHATPH1SLC7A5PTGS1ALOX15
SCHEMBL29637606 1.00 LDHA (0.73) LDHATPH1SLC7A5PTGS1ALOX15
Hydrochloric Acid SCHEMBL3207583 0.98 LDHA (0.71) LDHATPH1SLC7A5PTGS1ALOX15
Hydrochloric Acid SCHEMBL10464213 0.98 LDHA (0.71) LDHATPH1SLC7A5PTGS1ALOX15
SCHEMBL10426009 0.91 LDHA (0.61) LDHATPH1SLC7A5PTGS1ALOX15
SCHEMBL10426010 0.91 LDHA (0.61) LDHATPH1SLC7A5PTGS1ALOX15
SCHEMBL10705215 0.91 LDHA (0.61) LDHATPH1SLC7A5PTGS1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315619-A Synthetic method of 3- (3, 4-dimethoxyphenyl) -L-alanine 山东泓瑞医药科技股份公司 2022-04-12 CN claimed
US-11274126-B2 pH-sensitive cyclic peptides UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES (US) 2022-03-15 US claimed
EP-3387004-B1 CYCLIC PEPTIDES TARGETING ALPHA4 BETA7 INTEGRIN ZEALAND PHARMA AS (DK) 2021-10-06 EP claimed
CN-112300250-A Anidulafungin analogue and preparation method thereof 上海医药工业研究院 2021-02-02 CN claimed
CN-107012179-B Enzymatic conversion preparation method of 3, 4-dimethoxy-L-phenylalanine 南京医科大学 2020-05-29 CN claimed
EP-3432908-A1 pH-SENSITIVE PEPTIDES Rhode Island Council on Postsecondary Education (US) 2019-01-30 EP claimed
WO-2017165452-A1 pH-SENSITIVE PEPTIDES RHODE ISLAND COUNCIL ON POSTSECONDARY EDUCATION (US) 2017-09-28 WO claimed
CN-107012179-A The enzymatic conversion preparation method of 3,4 dimethoxy L phenylalanines 南京医科大学 2017-08-04 CN claimed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US claimed
EP-2593021-A2 BIOADHESIVE COMPOUNDS AND METHODS OF SYNTHESIS AND USE KNC NER Acquisition Sub, Inc. (US) 2013-05-22 EP claimed
US-20050208140-A1 Short peptide carrier system for cellular delivery of agent TSRL, INC. 2005-09-22 US claimed
US-6943157-B2 Reverse-turn mimetics and composition and methods relating thereto MYRIAD GENETICS, INC. (US) 2005-09-13 US claimed
EP-0644772-B1 OPIOID PEPTIDES SOD CONSEILS RECH APPLIC (FR) 2003-04-02 EP claimed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US claimed
US-5663295-A ANALGESIC, ANTIDIARRHEA BIOMEASURE INC. (US) 1997-09-02 US claimed
EP-0644772-A4 OPIOID PEPTIDES. BIOMEASURE INC (US) 1997-01-29 EP claimed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 EP claimed
EP-0644772-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1995-03-29 EP claimed
WO-1994011018-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1994-05-26 WO claimed
EP-0351382-A2 Process for the synthesis of optically active aminoacids MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1990-01-17 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11274126-B2 pH-sensitive cyclic peptides VIP, PHLPP1, PHLPP2 LDHA 1936/4885TPH1 4289/4885SLC7A5 227/4885
US-20050208140-A1 Short peptide carrier system for cellular delivery of agent SLC43A1, DNPEP, LNPEP LDHA 1212/4885TPH1 4544/4885SLC7A5 6/4885

“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.