SCHEMBL16388797

SCHEMBL16388797

CC(=O)[C@@H](CC(C)C)NCc1cnn(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
ALDH1A1 P00352 4/20 0.43
ACACB O00763 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.37
CTSK P43235 1/20 0.36
ELANE P08246 1/20 0.36
LMNA P02545 1/20 0.36
KDM5A P29375 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL17789284 0.85 GRN (0.47) GRNSORT1ALDH1A1ACACBSMN1; SMN2
SCHEMBL26130288 0.76 GRN (0.52) GRNSORT1ALDH1A1SMN1; SMN2GAA
SCHEMBL26130286 0.76 GRN (0.52) GRNSORT1ALDH1A1SMN1; SMN2GAA
SCHEMBL104235 0.75 ALDH1A1 (0.43) ALDH1A1ACACBSMN1; SMN2GAAMEN1
SCHEMBL8231074 0.72 ALDH1A1 (0.58) ALDH1A1ACACBSMN1; SMN2GAAMEN1
Trifluoroacetic Acid SCHEMBL26125520 0.72 GRN (0.45) GRNSORT1ALDH1A1SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL26125513 0.72 GRN (0.45) GRNSORT1ALDH1A1SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL26125517 0.72 GRN (0.45) GRNSORT1ALDH1A1SMN1; SMN2GAA
SCHEMBL16388802 0.72 ANPEP (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL16750101 0.72 ALDH1A1 (0.55) ALDH1A1ACACBSMN1; SMN2GAAMEN1

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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 GRN 4866/4885SORT1 3326/4885ALDH1A1 2563/4885

“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.