SCHEMBL2507563

SCHEMBL2507563

NC(Cc1cncn1C(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
NOS1 P29475 5/20 0.46
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GRIA2 P42262 1/20 0.40
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39

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
SCHEMBL2503926 1.00 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2512335 1.00 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12198928 0.91 NOS1 (0.40) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10448576 0.87 CYP11B1 (0.42) SLC7A5NOS1
SCHEMBL7300346 0.81 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL11781896 0.79 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10397191 0.78 CYP11B1 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8255653 0.78 CYP11B1 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3684988 0.77 SLC1A3 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22443734 0.76 SLC1A3 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245311-A1 Histidine Derivatives AKD GLOBAL, INC. 2011-10-06 US claimed
WO-2010115130-A1 HISTIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USES AKD GLOBAL, INC. (US) 2010-10-07 WO claimed
US-20110245311-A1 Histidine Derivatives AKD GLOBAL, INC. 2011-10-06 US disclosed
WO-2010115130-A1 HISTIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USES AKD GLOBAL, INC. (US) 2010-10-07 WO 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.