SCHEMBL2728563

SCHEMBL2728563

N[C@@H](Cc1ccc(OCCCl)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.69
ITGA2B P08514 3/20 0.69
HIF1A Q16665 5/20 0.56
CYP3A4 P08684 3/20 0.56
ALOX15 P16050 3/20 0.56
PTGS1 P23219 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ABCB11 O95342 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
CHRM1 P11229 1/20 0.56
ACHE P22303 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL5026508 1.00 ITGB3 (0.69) ITGB3ITGA2BHIF1ACYP3A4ALOX15
Hydrochloric Acid SCHEMBL6771655 0.98 ITGB3 (0.68) ITGB3ITGA2BHIF1ACYP3A4ALOX15
SCHEMBL18526793 0.94 ITGB3 (0.74) ITGB3ITGA2BHIF1ACYP3A4ALOX15
SCHEMBL22442176 0.92 ITGB3 (0.76) ITGB3ITGA2BHIF1ACYP3A4ALOX15
SCHEMBL22442179 0.92 ITGB3 (0.76) ITGB3ITGA2BHIF1ACYP3A4ALOX15
SCHEMBL27654977 0.90 ITGB3 (0.77) ITGB3ITGA2BHIF1ACYP3A4ALOX15
SCHEMBL27674868 0.89 ITGB3 (0.80) ITGB3ITGA2BHIF1ACYP3A4ALOX15
SCHEMBL20400610 0.86 ITGB3 (0.81) ITGB3ITGA2BHIF1ACYP3A4ALOX15
SCHEMBL31369805 0.86 ITGB3 (0.81) ITGB3ITGA2BHIF1ACYP3A4ALOX15
SCHEMBL10181470 0.86 ITGB3 (0.71) ITGB3ITGA2BHIF1AALOX15PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12359192-B2 Methods and compositions for display of macrocyclic peptides UNIVERSITY OF ROCHESTER (US) 2025-07-15 US claimed
US-20250197448-A1 CYCLOPEPTIBODIES AND USES THEREOF UNIVERSITY OF ROCHESTER (US) 2025-06-19 US claimed
EP-4490202-A1 CYCLOPEPTIBODIES AND USES THEREOF University of Rochester (US) 2025-01-15 EP claimed
WO-2023173084-A9 CYCLOPEPTIBODIES AND USES THEREOF UNIVERSITY OF ROCHESTER (US) 2023-12-14 WO claimed
WO-2023173084-A1 CYCLOPEPTIBODIES AND USES THEREOF UNIVERSITY OF ROCHESTER (US) 2023-09-14 WO claimed
EP-3087088-B1 METHODS AND COMPOSITIONS FOR RIBOSOMAL SYNTHESIS OF MACROCYCLIC PEPTIDES UNIV ROCHESTER (US) 2022-05-25 EP claimed
US-20200299675-A1 Methods and Compositions for Display of Macrocyclic Peptides UNIVERSITY OF ROCHESTER 2020-09-24 US claimed
US-10544191-B2 Methods and compositions for ribosomal synthesis of macrocyclic peptides UNIVERSITY OF ROCHESTER (US) 2020-01-28 US claimed
US-20160355552-A1 METHODS AND COMPOSITIONS FOR RIBOSOMAL SYNTHESIS OF MACROCYCLIC PEPTIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-08 US claimed
EP-3087088-A2 METHODS AND COMPOSITIONS FOR RIBOSOMAL SYNTHESIS OF MACROCYCLIC PEPTIDES University Of Rochester (US) 2016-11-02 EP claimed
WO-2015100277-A9 METHODS AND COMPOSITIONS FOR RIBOSOMAL SYNTHESIS OF MACROCYCLIC PEPTIDES UNIVERSITY OF ROCHESTER (US) 2015-10-01 WO claimed
WO-2015100277-A2 METHODS AND COMPOSITIONS FOR RIBOSOMAL SYNTHESIS OF MACROCYCLIC PEPTIDES UNIVERSITY OF ROCHESTER (US) 2015-07-02 WO claimed
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 US claimed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 US claimed
CN-1152338-A Streptogramines and method for preparing same by mutasynthesis RHONE POULENC RORER SA (FR) 1997-06-18 CN claimed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP claimed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 WO claimed
US-12359192-B2 Methods and compositions for display of macrocyclic peptides UNIVERSITY OF ROCHESTER (US) 2025-07-15 US disclosed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP disclosed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 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 (6 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-12359192-B2 Methods and compositions for display of macrocyclic peptides NGLY1, MICA, MRPL21 ITGB3 3200/4885ITGA2B 3509/4885HIF1A 4443/4885
US-10544191-B2 Methods and compositions for ribosomal synthesis of macrocyclic peptides MRPS27, MRPL21, RPLP2 ITGB3 4814/4885ITGA2B 4821/4885HIF1A 4371/4885
US-20250197448-A1 CYCLOPEPTIBODIES AND USES THEREOF FCGR3B, FCGRT, FCGR2A ITGB3 3171/4885ITGA2B 2815/4885HIF1A 4369/4885
US-20160355552-A1 METHODS AND COMPOSITIONS FOR RIBOSOMAL SYNTHESIS OF MACROCYCLIC PEPTIDES MRPS27, MRPL21, RPLP2 ITGB3 4814/4885ITGA2B 4821/4885HIF1A 4371/4885
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS ITGB3 4878/4885ITGA2B 4267/4885HIF1A 1689/4885
US-20200299675-A1 Methods and Compositions for Display of Macrocyclic Peptides SPOUT1, NGLY1, VIP ITGB3 3731/4885ITGA2B 3757/4885HIF1A 4562/4885

“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.