Sugi Predict

Sugi Predict / Compounds / SCHEMBL6446370

SCHEMBL6446370

SCHEMBL6446370

N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.58
▸ SLC15A1 P46059 1/20 0.55
▸ SLC6A2 P23975 2/20 0.54
▸ TAAR1 Q96RJ0 2/20 0.54
▸ MAOA P21397 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ CYP2A6 P11509 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ ALPI P09923 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ XIAP P98170 1/20 0.54
▸ SLC7A5 Q01650 1/20 0.54
▸ CSNK1E P49674 1/20 0.53
▸ LAP3 P28838 3/20 0.50
▸ ANPEP P15144 2/20 0.50
▸ CYP2D6 P10635 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
SCHEMBL8482921 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL14719648 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL6931887 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL6446300 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL9740410 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL6445044 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL6929688 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL7144488 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL7190709 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL7168775 1.00 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 — — EP claimed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 — — EP claimed
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 — — EP disclosed
US-6803466-B1 EFFECTIVE AGAINST DRUG-RESISTANT MUTANTS THE SCRIPPS RESEARCH INSTITUTE 2004-10-12 — — US disclosed
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 — — US disclosed
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 — — US disclosed
US-20030158152-A1 Protease inhibitors and their pharmaceutical uses CRUZ-FIOCRUZ, FUNDACAO OSWALDO (BR) 2003-08-21 — — US disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 — — EP disclosed
US-6531610-B1 Intermediate acylating carbonate ABBOTT LABORATORIES 2003-03-11 — — US disclosed
EP-0727419-B1 Intermediates for the preparation of retroviral protease inhibiting compounds ABBOTT LAB (US) 2002-02-27 — — EP disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 — — EP disclosed
EP-0674513-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-10-04 — — EP disclosed
US-5430155-A Viricides, treatment of AIDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-04 — — US disclosed
EP-0652009-A1 Identification and use of protease inhibitors ELI LILLY AND COMPANY (US) 1995-05-10 — — EP disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 — — US disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 — — WO disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 — — US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 — — EP disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 — — EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 — — 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 (2 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-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 EPHX1 2132/4885SLC15A1 2450/4885SLC6A2 4736/4885
US-20030158152-A1 Protease inhibitors and their pharmaceutical uses PEPD, DNPEP, PREP EPHX1 2548/4885SLC15A1 2920/4885SLC6A2 2708/4885

“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.