SCHEMBL4208146

SCHEMBL4208146

C[C@H](Nc1ccc(Br)cn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.55
TSHR P16473 1/20 0.49
HCAR3 P49019 3/20 0.49
TP53 P04637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
RAB9A P51151 9/20 0.47
NPC1 O15118 6/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL3535964 0.81 DEGS1 (0.50) HCAR3
SCHEMBL29203312 0.81 RAB9A (0.56) HCAR3TP53MEN1KMT2AMAPT
SCHEMBL3535967 0.81 DEGS1 (0.50) HCAR3
SCHEMBL17911708 0.80 FDPS (0.51) FDPSTSHRHCAR3TP53MEN1
SCHEMBL1181647 0.78 FDPS (0.56) FDPSTSHRHCAR3TP53MEN1
SCHEMBL16554276 0.78 HCAR3 (0.46) FDPSHCAR3MAPTRAB9AMAPK1
SCHEMBL16554275 0.78 HCAR3 (0.46) FDPSHCAR3MAPTRAB9AMAPK1
SCHEMBL17925373 0.76 HCAR3 (0.45) FDPSHCAR3TP53RAB9ANPC1
SCHEMBL15163940 0.75 FDPS (0.71) FDPSTSHRHCAR3TP53MEN1
SCHEMBL9769258 0.75 RAB9A (0.55) TSHRTP53MEN1KMT2AALOX15

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 FDPS 3823/4885TSHR 4452/4885HCAR3 1953/4885

“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.