SCHEMBL6629444

SCHEMBL6629444

C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
PTGIR P43119 1/20 0.39
KMT2A Q03164 2/20 0.38
MDM4 O15151 2/20 0.38
TP53 P04637 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CASP3 P42574 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL3047889 0.84 FABP5 (0.38) FABP5FABP7KMT2AMDM4TP53
SCHEMBL1905118 0.83 FABP5 (0.44) FABP5FABP7KMT2AMDM4TP53
SCHEMBL1885672 0.83 FABP5 (0.40) FABP5FABP7KMT2AMDM4TP53
SCHEMBL19668361 0.83 FABP5 (0.40) FABP5FABP7KMT2AMDM4TP53
SCHEMBL599391 0.81 PTGIR (0.41) FABP5FABP7PTGIRKMT2AMDM4
SCHEMBL31210304 0.81 PTGIR (0.41) FABP5FABP7PTGIRKMT2AMDM4
SCHEMBL19668362 0.81 PTGIR (0.41) FABP5FABP7PTGIRKMT2AMDM4
SCHEMBL30416398 0.81 PTGIR (0.41) FABP5FABP7PTGIRKMT2AMDM4
SCHEMBL18301508 0.80 FABP5 (0.39) FABP5FABP7KMT2AMDM4TP53
SCHEMBL3821607 0.80 FABP5 (0.41) FABP5FABP7KMT2AMDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2026-01-22 US disclosed
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2025-08-07 US disclosed
US-20250163104-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2025-05-22 US disclosed
US-20240409585-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2024-12-12 US disclosed
US-20040210051-A1 N-alkanoylphenylalanine derivatives CHEN LI (US) 2004-10-21 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1005446-B1 N-AROYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-20030050248-A1 Novel amino acid and peptide inhibitors of Staphylococcus virulence PANORAMA RESEARCH, INC. 2003-03-13 US disclosed
EP-1261362-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE Intermune, Inc. (US) 2002-12-04 EP disclosed
US-6455550-B1 INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-09-24 US disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
WO-2001058471-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE INTERMUNE, INC. (US) 2001-08-16 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-20250163104-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 FABP5 2427/4885FABP7 2559/4885PTGIR 2539/4885
US-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL FABP5 112/4885FABP7 397/4885PTGIR 472/4885
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 FABP5 2537/4885FABP7 2103/4885PTGIR 2919/4885
US-20240409585-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 FABP5 2253/4885FABP7 2379/4885PTGIR 2913/4885
US-20040210051-A1 N-alkanoylphenylalanine derivatives VCAM1, ICAM1, CD59 FABP5 173/4885FABP7 169/4885PTGIR 1401/4885
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 FABP5 2171/4885FABP7 2391/4885PTGIR 2971/4885

“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.