SCHEMBL9544129

SCHEMBL9544129

CC(C)(C)OC(=O)[C@](N)(CCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
GRM2 Q14416 3/20 0.43
GRM3 Q14832 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CTSK P43235 3/20 0.41
CTSS P25774 3/20 0.41
ALDH1A1 P00352 1/20 0.39
AKT1 P31749 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
SSTR4 P31391 1/20 0.37
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL9543962 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HIF1AGRM2GRM3CA12
SCHEMBL4385270 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HIF1AGRM2GRM3CA12
SCHEMBL8315125 0.91 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AGRM2GRM3CA12
SCHEMBL9296370 0.90 GRM2 (0.47) SMN1; SMN2HIF1AGRM2GRM3CTSK
SCHEMBL27347615 0.88 BLM (0.49) SMN1; SMN2HIF1ACTSKCTSSALDH1A1
SCHEMBL8298610 0.85 SLC13A5 (0.51) SMN1; SMN2HIF1ACTSKCTSSCTSB
SCHEMBL27670635 0.85 GRM2 (0.51) SMN1; SMN2GRM2GRM3ALDH1A1POLB
SCHEMBL6464407 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ACA12CA1CA7
SCHEMBL4937591 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ACA12CA1CA7
SCHEMBL27258934 0.84 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AGRM2GRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 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 (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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 SMN1; SMN2 1555/4885HIF1A 3206/4885GRM2 3085/4885

“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.