SCHEMBL15340923

SCHEMBL15340923

CC(C)(C)OC(=O)N[C@@H](CCNc1ncc(C=O)s1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.56
TDP1 Q9NUW8 9/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 10/20 0.38
KMT2A Q03164 6/20 0.38
POLB P06746 5/20 0.38
MEN1 O00255 5/20 0.38
MAPT P10636 6/20 0.36
PI4KB Q9UBF8 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL15328471 0.92 P2RY2 (0.47) P2RY2ALDH1A1
SCHEMBL15344185 0.84 P2RY2 (0.44) P2RY2ATMHDAC3HDAC4HDAC1
SCHEMBL15328202 0.83 P2RY2 (0.42) P2RY2ATM
SCHEMBL15328204 0.83 P2RY2 (0.42) P2RY2ATM
SCHEMBL25810293 0.81 BCHE (0.42) P2RY2TDP1ALDH1A1
SCHEMBL15341087 0.79 P2RY2 (0.40) P2RY2
SCHEMBL15341063 0.79 STK17B (0.51) P2RY2TDP1KMT2AMEN1
SCHEMBL15328153 0.78 P2RY2 (0.40) P2RY2
SCHEMBL15344127 0.78 P2RY2 (0.43) P2RY2NPSR1KMT2AKDM4E
SCHEMBL12472345 0.78 P2RY2 (0.40) P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 US disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 US 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN P2RY2 4398/4885TDP1 4656/4885ATM 1458/4885

“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.