SCHEMBL289162

SCHEMBL289162

N=C(N)Nc1ccc(C[C@@H](N)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.57
PTGS1 P23219 3/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
ITGAV P06756 1/20 0.53
TPH1 P17752 2/20 0.53
HIF1A Q16665 4/20 0.50
CYP3A4 P08684 3/20 0.50
ALOX15 P16050 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ABCB11 O95342 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 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
SCHEMBL180331 1.00 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL180332 1.00 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL26747607 0.87 ITGB3 (0.41) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1932906 0.87 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL169645 0.87 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL169646 0.87 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7381598 0.85 ITGB3 (0.67) SLC7A5ITGB3ITGA2BITGAVALDH1A1
SCHEMBL7453923 0.85 ITGB3 (0.67) SLC7A5ITGB3ITGA2BITGAVALDH1A1
SCHEMBL6378833 0.84 LTA4H (0.48) SLC1A3SLC1A2SLC1A1
SCHEMBL8423623 0.84 SLC7A5 (0.57) 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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US claimed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO claimed
US-4619914-A PEPTIDES WHICH INHIBIT GONADOTROPIN SECRETION-CONTRACEPTIVES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-10-28 US claimed
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PEPTIDREAM INC. (JP) 2024-01-11 US disclosed
EP-4276096-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PeptiDream Inc. (JP) 2023-11-15 EP disclosed
WO-2022149610-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME ペプチドリーム株式会社 2022-07-14 WO disclosed
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 EP disclosed
EP-3981784-A1 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2022-04-13 EP disclosed
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 US disclosed
WO-1991012013-A1 CYCLIC GnRH ANTAGONISTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1991-08-22 WO disclosed
US-4661472-A PREVENT OVULATION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-04-28 US disclosed
US-4652550-A INHIBITING RELEASE OF GONADOTROPINS; PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-03-24 US disclosed
EP-0201260-A2 GnRH antagonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-11-12 EP disclosed
US-4619914-A PEPTIDES WHICH INHIBIT GONADOTROPIN SECRETION-CONTRACEPTIVES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-10-28 US disclosed
EP-0162575-A2 GnRH Antagonists VII THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1985-11-27 EP disclosed
EP-0122712-A2 GnRH antagonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1984-10-24 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A SLC7A5 1600/4885PTGS1 109/4885ALPI 2014/4885
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 SLC7A5 4712/4885PTGS1 1407/4885ALPI 2075/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 SLC7A5 1527/4885PTGS1 2416/4885ALPI 4162/4885
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME GMPS, MAPT, UROD SLC7A5 89/4885PTGS1 1565/4885ALPI 850/4885

“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.