SCHEMBL739018

SCHEMBL739018

O=C(O)[C@H](Cc1ccccc1)NC(F)(F)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50
FPR2 P25090 2/20 0.49
ECE1 P42892 1/20 0.49
PTPN1 P18031 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MME P08473 2/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
CPA1 P15085 1/20 0.45

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
SCHEMBL73700 1.00 ACE (0.51) ACENPSR1FPR2ECE1PTPN1
SCHEMBL8703498 0.88 ACE (0.52) ACENPSR1FPR2ECE1PTPN1
SCHEMBL6254380 0.88 PTPN1 (0.56) ACEPTPN1
SCHEMBL71782 0.83 ACE (0.56) ACENPSR1FPR2ECE1L3MBTL1
SCHEMBL71781 0.83 ACE (0.56) ACENPSR1FPR2ECE1L3MBTL1
SCHEMBL933401 0.83 ACE (0.56) ACENPSR1FPR2ECE1L3MBTL1
SCHEMBL7322706 0.81 MME (0.59) ACEMMEACE2CPA1
SCHEMBL7348036 0.81 MME (0.59) ACEMMEACE2CPA1
SCHEMBL9223334 0.80 NPSR1 (0.55) ACENPSR1L3MBTL1MMEALDH1A1
SCHEMBL2622217 0.80 NPSR1 (0.55) ACENPSR1L3MBTL1MMEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028630-A1 HYBRID OLIGONUCLEOTIDES ENTRADA THERAPEUTICS INC (US) 2026-01-29 US disclosed
US-20240245790-A1 CYCLIC CELL PENETRATING PEPTIDES ENTRADA THERAPEUTICS, INC. 2024-07-25 US disclosed
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 US disclosed
WO-2017095806-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-08 WO disclosed
US-9399653-B2 Methods and systems for preparing irreversible inhibitors of protein tyrosine phosphatases THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-07-26 US disclosed
EP-2267029-B1 Methods and compositions for treatment of inflammatory disease using Cadherin-11 modulating agents BRIGHAM & WOMENS HOSPITAL (US) 2016-06-15 EP disclosed
US-9284541-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-15 US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 US disclosed
US-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 US disclosed
WO-2013148189-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-03 WO disclosed
WO-2001017557-A9 METHODS AND COMPOSITIONS FOR TREATMENT OF INFLAMMATORY DISEASE USING CADHERIN-11 MODULATING AGENTS BRIGHAM & WOMENS HOSPITAL (US) 2002-09-12 WO disclosed
EP-1207905-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF INFLAMMATORY DISEASE USING CADHERIN-11 MODULATING AGENTS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-05-29 EP disclosed
WO-2002036142-A2 COMPOSITIONS FOR INHIBITING GRB7 UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2002-05-10 WO disclosed
US-20020055488-A1 Prevention and treatment of streptococcal and staphylococcal infection BRIGHAM AND WOMEN'S HOSPITAL, INC., THE 2002-05-09 US disclosed
WO-2002024223-A2 PREVENTION AND TREATMENT OF STREPTOCOCCAL AND STAPHYLOCOCCAL INFECTION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-03-28 WO disclosed
EP-1140980-A1 PSEUDOPEPTIDE COMPOUNDS HAVING AN INHIBITING ACTIVITY WITH RESPECT TO PATHS ACTIVATED BY PROTEINS WITH ACTIVE TYROSINE KINASE ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2001-10-10 EP disclosed
WO-2001017557-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF INFLAMMATORY DISEASE USING CADHERIN-11 MODULATING AGENTS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2001-03-15 WO disclosed
WO-2000039153-A1 PSEUDOPEPTIDE COMPOUNDS HAVING AN INHIBITING ACTIVITY WITH RESPECT TO PATHS ACTIVATED BY PROTEINS WITH ACTIVE TYROSINE KINASE ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE INSERM (FR) 2000-07-06 WO disclosed
US-5770620-A ENZYME INHIBITOR AS IMMUNOMODULATORS ONTOGEN CORPORATION (US) 1998-06-23 US disclosed
WO-1997043301-A2 IDENTIFICATION OF MEMBERS OF COMBINATORIAL LIBRARIES BY MASS SPECTROMETRY NOVARTIS AG (CH) 1997-11-20 WO 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 (3 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-20260028630-A1 HYBRID OLIGONUCLEOTIDES RNGTT, BCDIN3D, RNMT ACE 3520/4885NPSR1 2377/4885FPR2 2989/4885
US-20240245790-A1 CYCLIC CELL PENETRATING PEPTIDES SLC47A1, SLC47A2, VIP ACE 4080/4885NPSR1 548/4885FPR2 487/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 ACE 1829/4885NPSR1 3699/4885FPR2 746/4885

“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.