SCHEMBL6845969

SCHEMBL6845969

NCC(O)C(N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
CSNK1E P49674 1/20 0.57
ANPEP P15144 2/20 0.50
SLC15A1 P46059 1/20 0.50
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MMP2 P08253 2/20 0.46
LAP3 P28838 3/20 0.46

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
SCHEMBL8761734 1.00 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL7758242 1.00 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL7340766 1.00 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1ALPI
Hydrochloric Acid SCHEMBL27559410 0.98 EPHX1 (0.56) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL6425554 0.87 EPHX1 (0.62) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL9394032 0.86 CSNK1E (0.49) EPHX1CSNK1EANPEPSLC15A1ALPI
Hydrochloric Acid SCHEMBL9388352 0.85 EPHX1 (0.60) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL4502384 0.83 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL11091491 0.83 EPHX1 (0.58) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL296417 0.83 EPHX1 (0.52) EPHX1CSNK1EANPEPSLC15A1ALPI

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP claimed
JP-10152459-A None JP disclosed
EP-1509537-B9 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-11-14 EP disclosed
EP-1509537-B1 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-07-18 EP disclosed
US-20040267022-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2004-12-30 US disclosed
EP-0769003-B1 AMINO ACID-DERIVED DIAMINOPROPANOLS PHARMECO LAB INC (US) 2001-05-16 EP disclosed
EP-1059285-A2 Process for the preparation of 1,3-diamino-2-propanol and 1,3-diamino-2-propanone derivatives Pharm-Eco Laboratories, Inc. (US) 2000-12-13 EP disclosed
US-6063963-A Amino acid-derived diaminopropanols PHARM-ECO LABORATORIES, INC. (US) 2000-05-16 US disclosed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP disclosed
JP-H10152459-A PRODUCTION OF 1,3-DIAMINO-4-PHENYL-2-BUTANOL DERIVATIVE, ITS PRODUCTION INTERMEDIATE AND ITS PRODUCTION SAGAMI CHEM RES CENTER 1998-06-09 JP disclosed
US-5631405-A Method of forming amino acid-derived diaminopropanols useful as chemical intermediates for protease-inhibitors PHARM-ECO LABORATORIES, INCORPORATED (US) 1997-05-20 US disclosed
EP-0769003-A1 AMINO ACID-DERIVED DIAMINOPROPANOLS Pharmeco Laboratories, Inc. (US) 1997-04-23 EP disclosed
US-5618966-A Method forming protease inhibitor synthetic intermediates PHARM-ECO LABORATORIES, INCORPORATED (US) 1997-04-08 US disclosed
US-5599994-A Amino acid-derived diaminopropanols PHARM-ECO LABORATORIES, INC. (US) 1997-02-04 US disclosed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US disclosed
WO-1996001788-A2 AMINO ACID-DERIVED DIAMINOPROPANOLS PHARM-ECO LABORATORIES, INCORPORATED (US) 1996-01-25 WO disclosed
US-5475138-A Method preparing amino acid-derived diaminopropanols PHARM-ECO LABORATORIES INCORPORATED (US) 1995-12-12 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 (1 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-20040267022-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PRSS1, TMPRSS15 EPHX1 1047/4885CSNK1E 2477/4885ANPEP 9/4885

“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.