SCHEMBL15340962

SCHEMBL15340962

OCc1cnc(NCCCNc2ncc(CO)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.36
SCD O00767 1/20 0.36
LMNA P02545 1/20 0.35
FDPS P14324 3/20 0.35
LIMK1 P53667 2/20 0.35
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
CDK1 P06493 1/20 0.33
KDR P35968 1/20 0.33
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
CDK5 Q00535 2/20 0.32

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
SCHEMBL15340877 0.92 SCD (0.37) P2RY2SCDLMNAFDPSLIMK1
SCHEMBL15340980 0.87 P2RY2 (0.33) P2RY2SCDLMNALIMK1FLT3
SCHEMBL22216631 0.85 SCD (0.34) SCDLMNAFDPSLIMK1CCNE1
SCHEMBL18904134 0.78
SCHEMBL21369575 0.75 SCD (0.38) SCDLMNAFDPSCCNE1CDK2
SCHEMBL15341105 0.72 KDR (0.43) FDPSLIMK1KDR
SCHEMBL15825086 0.72 CCNE1 (0.50) SCDLMNAFDPSCCNE1CDK2
SCHEMBL12523827 0.70 LMNA (0.55) LMNACDK1CCNE1CDK2
SCHEMBL10959901 0.70 AOC3 (0.37) SCDLMNAFDPSCCNE1CDK2
SCHEMBL5154133 0.70 NUDT1 (0.42) P2RY2LMNALIMK1FLT3CDK1

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 4398/4885SCD 4599/4885LMNA 1956/4885

“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.