SCHEMBL31369541

SCHEMBL31369541

Cc1cccc(-c2cccc(C[C@H](N)C(=O)O)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.71
SLC7A5 Q01650 5/20 0.57
NOS3 P29474 3/20 0.57
NOS1 P29475 3/20 0.57
NOS2 P35228 3/20 0.57
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
MAPK1 P28482 1/20 0.54
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53

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
SCHEMBL27549682 0.93 GRIA2 (0.69) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL29567585 0.91 SLC7A5 (0.65) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL42906 0.91 SLC7A5 (0.65) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL29378650 0.91 SLC7A5 (0.65) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL1795728 0.91 SLC7A5 (0.65) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL42907 0.91 SLC7A5 (0.65) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL29217053 0.91 GRIA2 (0.84) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL944210 0.91 GRIA2 (0.84) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL31369787 0.90 GRIA2 (0.69) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL30722993 0.90 PPARG (0.59) GRIA2SLC7A5NOS3NOS1NOS2

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 GRIA2 1319/4885SLC7A5 66/4885NOS3 2741/4885

“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.