SCHEMBL4208145

SCHEMBL4208145

N[C@@H](Cc1ccc(Br)cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
HSD17B10 Q99714 2/20 0.45
SLC7A5 Q01650 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PTGS1 P23219 2/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
XIAP P98170 1/20 0.44
KIF11 P52732 1/20 0.42
CYP3A4 P08684 1/20 0.41
SLC1A3 P43003 1/20 0.41
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 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
SCHEMBL25869512 0.87 ALDH1A1 (0.41) CYP1A2ALDH1A1KDM4ENPC1MAPT
SCHEMBL27729422 0.81 SIRT2 (0.44) ALDH1A1KDM4EKIF11NPC1MAPT
SCHEMBL4214065 0.81 SIRT2 (0.44) ALDH1A1KDM4EKIF11NPC1MAPT
SCHEMBL7205029 0.81 SLC7A5 (0.56) CYP1A2HSD17B10SLC7A5ALDH1A1KDM4E
SCHEMBL5283089 0.81 SLC7A5 (0.56) CYP1A2HSD17B10SLC7A5ALDH1A1KDM4E
SCHEMBL15360000 0.81 CYP1A2 (0.49) CYP1A2HSD17B10SLC7A5ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4219539 0.80 SIRT2 (0.43) ALDH1A1KDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL27729421 0.80 SIRT2 (0.43) ALDH1A1KDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL20422675 0.80 SLC7A5 (0.54) CYP1A2HSD17B10SLC7A5ALDH1A1KDM4E
SCHEMBL12128833 0.80 CYP1A2 (0.47) CYP1A2HSD17B10SLC7A5PTGS1ALPI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
EP-1957476-A1 L-ALANINE DERIVATIVES AstraZeneca AB (SE) 2008-08-20 EP disclosed
WO-2007060409-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB (SE) 2007-05-31 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-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 CYP1A2 4447/4885HSD17B10 2676/4885SLC7A5 145/4885

“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.