SCHEMBL1769036

SCHEMBL1769036

NC(Cc1ncccn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.53
PKM P14618 3/20 0.53
PTGS1 P23219 2/20 0.53
ALPI P09923 1/20 0.53
XIAP P98170 1/20 0.53
CYP1A2 P05177 1/20 0.51
HSD17B10 Q99714 3/20 0.49
CYP3A4 P08684 2/20 0.44
USP2 O75604 3/20 0.44
ALOX15 P16050 2/20 0.44
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
RGS12 O14924 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
THPO P40225 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
SCHEMBL21689933 1.00 SLC7A5 (0.53) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL1769034 1.00 SLC7A5 (0.53) SLC7A5PKMPTGS1ALPIXIAP
Hydrochloric Acid SCHEMBL20502478 0.98 SLC7A5 (0.52) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL5285402 0.80 ARG1 (0.44) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL31754299 0.79 SLC7A5 (0.45) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL5285445 0.78 SLC7A5 (0.46) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL22409316 0.77 PTPRA (0.67) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL126509 0.77 PTPRA (0.67) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL126508 0.77 PTPRA (0.67) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29039963 0.77 NLRP3 (0.41) ALDH1A1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 US disclosed
CN-116496255-A NLRP3 inhibitors 杭州邦顺制药有限公司 2023-07-28 CN disclosed
US-11629171-B2 Beta-hairpin peptidomimetics SPEXIS AG (CH) 2023-04-18 US disclosed
CN-115093463-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2022-09-23 CN disclosed
US-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
EP-3201219-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-17 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO disclosed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 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 (4 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-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ SLC7A5 1303/4885PKM 262/4885PTGS1 4119/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS SLC7A5 308/4885PKM 4530/4885PTGS1 3843/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 SLC7A5 4115/4885PKM 2439/4885PTGS1 208/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S SLC7A5 3020/4885PKM 335/4885PTGS1 2168/4885

“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.