SCHEMBL2398335

SCHEMBL2398335

COC(=O)[C@@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 2/20 0.66
▸ CPB1 P15086 1/20 0.66
▸ CPA3 P15088 1/20 0.66
▸ CPB2 Q96IY4 1/20 0.66
▸ LTA4H P09960 2/20 0.59
▸ KMT2A Q03164 1/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP12 P39900 1/20 0.50
▸ BIRC2 Q13490 1/20 0.50
▸ ATM Q13315 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
SCHEMBL901408 1.00 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL1914987 1.00 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL1912582 0.91 MMEL1 (0.60) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL7506768 0.88 KMT2A (0.54) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL9755831 0.88 KMT2A (0.54) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL10441763 0.87 LTA4H (0.64) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL8999162 0.87 KMT2A (0.53) CPA1CPB1CPA3CPB2KMT2A
SCHEMBL3965849 0.87 ESR1 (0.58) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL7752235 0.87 KMT2A (0.53) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL22943094 0.87 ANPEP (0.56) CPA1CPB1CPA3CPB2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 — — US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 — — EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — WO disclosed
US-8222215-B2 Methods for the use of inhibitors of antigen presentation by MHC class II molecules PROVID PHARMACEUTICALS, INC. (US) 2012-07-17 — — US disclosed
US-8222215-B2 Methods for the use of inhibitors of antigen presentation by MHC class II molecules PROVID PHARMACEUTICALS, INC. (US) 2012-07-17 — — US disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 — — US disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 — — US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 — — EP disclosed
US-20110217324-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS, INC. 2011-09-08 — — US disclosed
US-20110217324-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS, INC. 2011-09-08 — — US disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 — — WO disclosed
WO-2009073168-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS, INC. (US) 2009-06-11 — — WO disclosed
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES PROVID PHARMACEUTICALS, INC. 2009-04-30 — — US disclosed
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES PROVID PHARMACEUTICALS, INC. 2009-04-30 — — US disclosed
US-7439231-B2 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof PROVID PHARMACEUTICALS, INC. (US) 2008-10-21 — — US disclosed
US-7439231-B2 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof PROVID PHARMACEUTICALS, INC. (US) 2008-10-21 — — US disclosed
EP-0561758-A2 Method of preparing optically active homo-beta-amino acids MONSANTO COMPANY (US) 1993-09-22 — — EP disclosed
US-5229369-A Aminoalkylaminocarbonyl aminodiol amino acid derivatives as anti-hypertensive agents G. D. SEARLE & CO. (US) 1993-07-20 — — US disclosed
WO-1990000050-A1 AMINOALKYLAMINOCARBONYL AMINODIOL AMINO ACID DERIVATIVES AS ANTI-HYPERTENSIVE AGENTS G.D. SEARLE & CO. (US) 1990-01-11 — — WO disclosed
EP-0349922-A2 Aminoalkylaminocarbonyl aminodiol amino acid derivatives as anti-hypertensive agents G.D. Searle & Co. (US) 1990-01-10 — — 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 (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-20110217324-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF HLA-DRB1, CD74, MICA CPA1 792/4885CPB1 431/4885CPA3 632/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CPA1 953/4885CPB1 939/4885CPA3 739/4885
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA CPA1 556/4885CPB1 515/4885CPA3 344/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS CPA1 805/4885CPB1 2097/4885CPA3 1493/4885

“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.

Send feedback