SCHEMBL31369711

SCHEMBL31369711

N[C@@H](Cc1ccc(-c2n[nH]c3ccccc23)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.58
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SLC7A5 Q01650 2/20 0.54
ALPL P05186 1/20 0.54
GAA P10253 1/20 0.54
IDO1 P14902 1/20 0.54
HPGD P15428 1/20 0.54
TTK P33981 1/20 0.54
MAPK10 P53779 1/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
MAPK8 P45983 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MPO P05164 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL7416939 0.79 KDM4E (0.55) MAP2K4KDM4EALDH1A1SLC7A5GAA
SCHEMBL1519993 0.79 KDM4E (0.55) MAP2K4KDM4EALDH1A1SLC7A5GAA
SCHEMBL29353985 0.79 KDM4E (0.55) MAP2K4KDM4EALDH1A1SLC7A5GAA
SCHEMBL22819499 0.79 MAP2K4 (0.66) MAP2K4KDM4EALDH1A1ALPLGAA
SCHEMBL31646447 0.79 KDM4E (0.55) MAP2K4KDM4EALDH1A1SLC7A5GAA
SCHEMBL31642427 0.79 KDM4E (0.55) MAP2K4KDM4EALDH1A1SLC7A5GAA
Hydrochloric Acid SCHEMBL29702375 0.78 KDM4E (0.54) MAP2K4KDM4EALDH1A1SLC7A5GAA
Hydrochloric Acid SCHEMBL28694759 0.78 KDM4E (0.54) MAP2K4KDM4EALDH1A1SLC7A5GAA
Hydrochloric Acid SCHEMBL29604347 0.78 KDM4E (0.54) MAP2K4KDM4EALDH1A1SLC7A5GAA
SCHEMBL180272 0.76 SLC7A5 (0.78) KDM4ESLC7A5ALPIPKMPTGS1

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 MAP2K4 4086/4885KDM4E 3586/4885ALDH1A1 4472/4885

“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.