SCHEMBL16388802

SCHEMBL16388802

CC(=O)[C@@H](CC(C)C)NCc1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.56
CTSK P43235 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
PPID Q08752 1/20 0.42
PSMB5 P28074 1/20 0.42
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL16388795 0.86 ALDH1A1 (0.58) ANPEPCTSKSMN1; SMN2ALDH1A1LMNA
SCHEMBL17789283 0.83 ANPEP (0.52) ANPEPCTSKSMN1; SMN2HPGDALDH1A1
SCHEMBL16388799 0.77 TAS1R3 (0.41) CTSKALDH1A1PSMB5NPC1KMT2A
SCHEMBL8842988 0.75 ANPEP (0.56) ANPEPCTSKHPGD
SCHEMBL17083898 0.75 MEN1 (0.65) ANPEPALDH1A1MEN1KMT2A
SCHEMBL10098394 0.75 SCN9A (0.52) SMN1; SMN2
SCHEMBL1792750 0.74 PSMB5 (0.54) ANPEPCTSKALDH1A1PSMB5MEN1
SCHEMBL1792753 0.74 PSMB5 (0.54) ANPEPCTSKALDH1A1PSMB5MEN1
SCHEMBL3451593 0.73 PSMB5 (0.57) ANPEPCTSKALDH1A1LMNAPSMB5
SCHEMBL3451636 0.73 PSMB5 (0.57) ANPEPCTSKALDH1A1LMNAPSMB5

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 ANPEP 1763/4885CTSK 1026/4885SMN1; SMN2 3740/4885

“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.