SCHEMBL288201

SCHEMBL288201

N=C(N)c1ccc(C[C@@H](N)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 3/20 0.66
SLC7A5 Q01650 3/20 0.62
PTGS1 P23219 3/20 0.61
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
XIAP P98170 1/20 0.61
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
F2 P00734 1/20 0.54
PLG P00747 1/20 0.54
C1S P09871 1/20 0.54
HIF1A Q16665 4/20 0.53
ALOX15 P16050 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53

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
SCHEMBL288202 1.00 TPH1 (0.66) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL1397441 1.00 TPH1 (0.66) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL1064252 1.00 TPH1 (0.66) TPH1SLC7A5PTGS1ALPIPKM
Hydrochloric Acid SCHEMBL5279289 0.98 TPH1 (0.64) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL20714851 0.86 PRSS1 (0.50) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL668746 0.85 TPH1 (0.70) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL21690013 0.85 TPH1 (0.70) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL668747 0.85 TPH1 (0.70) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL7272904 0.85 TPH1 (0.50) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL2310526 0.84 SLC7A5 (0.83) TPH1SLC7A5PTGS1ALPIPKM

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 38 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-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-12-22 US claimed
EP-2349312-A2 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC Philipps-Universität Marburg (DE) 2011-08-03 EP claimed
WO-2010048941-A2 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITÄT MARBURG (DE) 2010-05-06 WO 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
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 EP disclosed
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 US disclosed
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS POLYPHOR AG (CH) 2017-12-28 US disclosed
WO-2017141032-A1 TREATMENT OF FIBROTIC DISORDERS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-08-24 WO disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US disclosed
EP-1355674-B1 OLIGO ALKYLENE GLYCOL OR POLYALKYLENE GLYCOL-COUPLED THROMBIN INHIBITORS JENAFFIN GMBH (DE) 2010-10-27 EP disclosed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US disclosed
EP-1355674-A2 OLIGO OR POLYALKYLENE GLYCOL-COUPLED THROMBIN INHIBITORS HaemoSys GmbH (DE) 2003-10-29 EP disclosed
WO-2002059065-A2 OLIGO OR POLYALKYLENE GLYCOL-COUPLED THROMBIN INHIBITORS HAEMOSYS GMBH (DE) 2002-08-01 WO disclosed
US-5627283-A ANTITHROMBIN COMPOUNDS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
US-5457114-A Antithrombin; antithrombotic, enzyme resistance, tolerability BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1995-10-10 US 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A TPH1 76/4885SLC7A5 1600/4885PTGS1 109/4885
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 TPH1 4262/4885SLC7A5 4712/4885PTGS1 1407/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 TPH1 3030/4885SLC7A5 1527/4885PTGS1 2416/4885
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS NCOA1, NCOA2, NCOR1 TPH1 3130/4885SLC7A5 4428/4885PTGS1 1682/4885
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC FURIN, IAPP, APP TPH1 3561/4885SLC7A5 2233/4885PTGS1 3773/4885

“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.