SCHEMBL16388795

SCHEMBL16388795

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49
CTSK P43235 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DPP7 Q9UHL4 3/20 0.45
DPP8 Q6V1X1 1/20 0.45
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL16388802 0.86 ANPEP (0.56) ALDH1A1LMNACTSKMEN1KMT2A
SCHEMBL17789280 0.84 ALDH1A1 (0.54) ALDH1A1LMNAGRNSORT1CTSK
SCHEMBL13995946 0.76 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL13995974 0.76 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL16388799 0.76 TAS1R3 (0.41) ALDH1A1CTSKKMT2ARAB9A
SCHEMBL8802427 0.76 CYP2C9 (0.56) MEN1KMT2ARAB9ASMN1; SMN2DPP7
SCHEMBL8003721 0.74 ALDH1A1 (0.54) ALDH1A1LMNAGRNSORT1MEN1
SCHEMBL8842988 0.74 ANPEP (0.56) CTSKTSHRANPEP
SCHEMBL6182184 0.73 TSHR (0.55) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL1792753 0.73 PSMB5 (0.54) ALDH1A1CTSKMEN1KMT2AANPEP

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 ALDH1A1 2563/4885LMNA 3845/4885GRN 4866/4885

“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.