SCHEMBL31369946

SCHEMBL31369946

NC(=O)c1ccnc(C[C@H](N)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
HSD17B10 Q99714 3/20 0.43
SLC7A5 Q01650 3/20 0.42
PTGS1 P23219 2/20 0.42
PKM P14618 2/20 0.42
ALPI P09923 1/20 0.42
XIAP P98170 1/20 0.42
TPH1 P17752 1/20 0.41
KDM5C P41229 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM5A P29375 1/20 0.41
KDM5D Q9BY66 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM4E B2RXH2 3/20 0.41
USP2 O75604 3/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL8000728 0.81 CYP1A2 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL22775125 0.81 CYP1A2 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL16536084 0.81 POLB (0.46) CYP1A2KDM5CKDM5BKDM5AKDM5D
SCHEMBL24248055 0.79 HSD17B10 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL18995811 0.79 HSD17B10 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL15495937 0.79 HSD17B10 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL17337885 0.79 CYP1A2 (0.45) CYP1A2KDM5CKDM5BKDM5AKDM5D
SCHEMBL5566353 0.78 HSD17B10 (0.50) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL29215396 0.78 CYP1A2 (0.53) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL1568753 0.78 NR3C2 (0.43) CYP1A2HSD17B10KDM5CKDM5BKDM5A

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CYP1A2 4562/4885HSD17B10 3828/4885SLC7A5 66/4885

“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.