SCHEMBL7589895

SCHEMBL7589895

CC(C)CCNC(=O)[C@H](CC(C)C(N)=O)C[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.49
ANPEP P15144 2/20 0.49
RNPEP Q9H4A4 2/20 0.49
DNPEP Q9ULA0 2/20 0.49
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP8 P22894 1/20 0.38

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
SCHEMBL4071248 0.90 CYP3A4 (0.50) LAP3ANPEPRNPEPDNPEPMMP8
SCHEMBL6832227 0.79 IL1RN (0.39) ANPEPRNPEPDNPEP
SCHEMBL4066984 0.76 LTA4H (0.47) NPC1RAB9ASMN1; SMN2MMP8
SCHEMBL4039170 0.76 HPGD (0.41) LMNASMN1; SMN2MMP8
SCHEMBL4058890 0.75 CCR1 (0.36) LMNASMN1; SMN2MMP8
SCHEMBL4065205 0.74 FFAR2 (0.37) LMNAL3MBTL1
SCHEMBL3936972 0.74 REN (0.47) LMNAMMP8
SCHEMBL4040963 0.74 REN (0.47) LMNAMMP8
SCHEMBL4063347 0.74 CCR1 (0.37) ANPEP
SCHEMBL4043492 0.73 VNN1 (0.39) LAP3ANPEPRNPEPDNPEPMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 LAP3 3585/4885ANPEP 4623/4885RNPEP 3404/4885

“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.