SCHEMBL160632

SCHEMBL160632

NC(Cc1ccsc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.58
PTGS1 P23219 3/20 0.58
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
XIAP P98170 1/20 0.58
SLC1A3 P43003 2/20 0.55
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 2/20 0.55
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL10074959 1.00 SLC7A5 (0.58) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL160633 1.00 SLC7A5 (0.58) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7252654 0.87 CYP2C19 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7252652 0.87 CYP2C19 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL17449974 0.85 DPP4 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL22147488 0.85 DPP4 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL10925103 0.85 DPP4 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5257074 0.85 DPP4 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12240915 0.85 DPP4 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL9554473 0.84 SLC7A5 (0.46) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805487-A Polypeptide compound and application thereof 成都诺和晟泰生物科技有限公司 2022-07-29 CN claimed
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2022-07-28 US claimed
EP-3983382-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2022-04-20 EP claimed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 CN claimed
CN-113045625-A Polypeptide as growth hormone secretagogue receptor agonist and application thereof 成都诺和晟泰生物科技有限公司 2021-06-29 CN claimed
CN-107337782-B Cement-based material dispersant suitable for low-temperature construction and preparation method thereof 江苏苏博特新材料股份有限公司 2021-04-20 CN claimed
EP-3335720-A1 C-DI-GMP BINDING PEPTIDES Universität Basel (CH) 2018-06-20 EP claimed
CN-107337782-A It is a kind of suitable for cement-based material dispersant of low-temperature construction and preparation method thereof 江苏苏博特新材料股份有限公司 2017-11-10 CN claimed
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US claimed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US claimed
WO-1993021227-A1 TACHYKININ ANTAGONIST TRICYCLIC COMPOUNDS, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1993-10-28 WO claimed
EP-0373549-B1 AMINO ACID DERIVATIVES WITH ENZYME-INHIBITING PROPERTIES, PROCESS TO SYNTHETISE THEM, COMPOSITION CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-01 EP claimed
US-5204357-A RENIN-INHIBITING AMINO ACID DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-20 US claimed
US-5116835-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 US claimed
CN-1047085-A The dipeptides of renin-inhibiting, its preparation method contains the medicament and the application thereof of these dipeptides HOECHST AG (DE) 1990-11-21 CN claimed
CN-1047084-A Dipeptidase derivant with enzyme inhibition HOECHST AG (DE) 1990-11-21 CN claimed
CN-1043132-A Dipeptidase derivant with enzyme inhibition HOECHST AG (DE) 1990-06-20 CN claimed
CN-1035286-A The amino acid derivative of renin-inhibiting HOECHST AG (DE) 1989-09-06 CN claimed
US-4855286-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 US claimed
US-4407952-A OF GENETICALLY ENGINEERED ESCHERICHIA AJINOMOTO COMPANY INCORPORATED (JP) 1983-10-04 US 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 (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-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES SLC43A1, NPPA, NAAA SLC7A5 61/4885PTGS1 4007/4885ALPI 4640/4885

“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.