SCHEMBL31369905

SCHEMBL31369905

CCCc1nc(C[C@H](N)C(=O)O)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MPO P05164 1/20 0.38
HIF1A Q16665 1/20 0.38
GRM5 P41594 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
GRIA4 P48058 4/20 0.36
RECQL P46063 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
SCHEMBL849757 0.87 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL8001783 0.87 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL29022742 0.85 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL30443813 0.85 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2KDM4ELMNA
Hydrochloric Acid SCHEMBL9045557 0.83 ALDH1A1 (0.34) KIF11ALDH1A1
SCHEMBL31369387 0.83 SLC7A5 (0.47) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL233540 0.81 SLC7A5 (0.39) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL29022786 0.81 SLC7A5 (0.39) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL263447 0.79 SLC7A5 (0.37) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL1539193 0.78 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA

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 SLC7A5 66/4885CYP3A4 3633/4885CYP1A2 4562/4885

“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.