SCHEMBL31591663

SCHEMBL31591663

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 2/20 0.55
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
AAK1 Q2M2I8 1/20 0.45
CTSL P07711 8/20 0.44
CTSB P07858 3/20 0.43
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
REN P00797 2/20 0.43

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
SCHEMBL1935059 0.88 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1935058 0.88 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5434236 0.88 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29400871 0.84 PPARG (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL31490548 0.84 BCL9 (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11094615 0.83 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9807290 0.83 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7385206 0.83 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6473599 0.82 PPARG (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6440284 0.81 CTSL (0.57) GAAAAK1CTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171516-A1 PEPTIDE ACIDS AS A GLP1R AGONIST AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2025-05-29 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-20250171516-A1 PEPTIDE ACIDS AS A GLP1R AGONIST AND ANTIBODY-DRUG CONJUGATES THEREOF GLP1R, GIPR, GCGR ALDH1A1 2241/4885MAPT 2772/4885SMN1; SMN2 1954/4885

“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.