Sugi Predict

Sugi Predict / Compounds / SCHEMBL202409

SCHEMBL202409

SCHEMBL202409

N=C(N)c1cccc(C[C@H](N)C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 7/20 0.65
▸ PTGS1 P23219 2/20 0.59
▸ ALPI P09923 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ XIAP P98170 1/20 0.59
▸ NOS3 P29474 3/20 0.58
▸ NOS1 P29475 3/20 0.58
▸ NOS2 P35228 3/20 0.58
▸ PRSS1 P07477 2/20 0.57
▸ PRSS2 P07478 2/20 0.57
▸ PRSS3 P35030 2/20 0.57
▸ GRIA2 P42262 1/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ ALOX15 P16050 1/20 0.51

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
SCHEMBL288337 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL31538733 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL202408 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL18049406 0.94 SLC7A5 (0.59) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7371250 0.90 SLC7A5 (0.60) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL667717 0.87 SLC7A5 (0.68) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29637609 0.87 SLC7A5 (0.68) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL21690081 0.87 SLC7A5 (0.68) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL30834634 0.87 SLC7A5 (0.68) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL667716 0.87 SLC7A5 (0.68) 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 419 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 — — EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US claimed
US-RE46424-E1 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2017-06-06 — — US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 — — EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 — — US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 — — US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 — — EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 — — EP claimed
EP-2736500-A1 USE OF TMPRSS2 INHIBITORS AS MEDICAMENTS Philipps Universität Marburg (DE) 2014-06-04 — — EP claimed
EP-1651597-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF Curacyte Chemistry GmbH (DE) 2006-05-03 — — EP claimed
US-20050176962-A1 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2005-08-11 — — 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
EP-1480963-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES Pentapharm AG (CH) 2004-12-01 — — EP claimed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 — — WO claimed
US-6649593-B1 Amino acid derivatives including serine, leucine, valine, arginine, asparginine, methionine, glycine and phenylalanine units; S1 protease inhibition; modulation of cholesterol homeostasis in cells TULARIK INC. 2003-11-18 — — US 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
WO-2003072559-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES PENTAPHARM AG (CH) 2003-09-04 — — WO claimed
WO-2001027138-A2 MODULATORS OF SREBP PROCESSING TULARIK INC. (US) 2001-04-19 — — WO 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 (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-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-20050176962-A1 Method for producing 3-amidinophenylalanine derivatives APEH, ANPEP, PAH SLC7A5 750/4885PTGS1 1070/4885ALPI 315/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS SLC7A5 1084/4885PTGS1 217/4885ALPI 3945/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS SLC7A5 1084/4885PTGS1 217/4885ALPI 3945/4885

“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.