SCHEMBL2507561

SCHEMBL2507561

N[C@H](Cc1cn(C(=O)Cc2ccccc2)cn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
CYP1A2 P05177 1/20 0.47
CPB1 P15086 4/20 0.43
CPB2 Q96IY4 4/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GRIA2 P42262 1/20 0.41
TYR P14679 5/20 0.40

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
SCHEMBL2503889 1.00 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2503881 1.00 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2837955 0.81 SLC7A5 (0.48) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16281027 0.80 HSD11B1 (0.43)
SCHEMBL4956555 0.80 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL41832 0.80 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL289025 0.80 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4726518 0.79 CYP1A2 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4727798 0.79 CYP1A2 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7001068 0.78 SLC7A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP

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-20110245311-A1 Histidine Derivatives AKD GLOBAL, INC. 2011-10-06 US claimed
US-20110245311-A1 Histidine Derivatives AKD GLOBAL, INC. 2011-10-06 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-20110245311-A1 Histidine Derivatives HNMT, HAMP, PHPT1 SLC7A5 78/4885ALPI 63/4885PKM 2868/4885

“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.