Sugi Predict

Sugi Predict / Compounds / SCHEMBL15328153

SCHEMBL15328153

SCHEMBL15328153

CC(C)(C)OC(=O)N[C@@H](CNC(=O)CNc1ncc(C=O)s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 1/20 0.40
▸ PPARA Q07869 7/20 0.38
▸ PPARG P37231 6/20 0.38
▸ ACE P12821 1/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ITGA4 P13612 2/20 0.35
▸ ITGB7 P26010 2/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ CTSS P25774 5/20 0.34
▸ CTSK P43235 4/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ APP P05067 1/20 0.34
▸ IDO1 P14902 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
SCHEMBL12472345 1.00 P2RY2 (0.40) P2RY2PPARAPPARGACEITGB3
SCHEMBL15341087 0.92 P2RY2 (0.40) P2RY2PPARAPPARGITGB3ITGA2B
SCHEMBL15328202 0.91 P2RY2 (0.42) P2RY2PPARAPPARGACEITGB3
SCHEMBL15328204 0.91 P2RY2 (0.42) P2RY2PPARAPPARGACEITGB3
SCHEMBL15328251 0.85 P2RY2 (0.40) P2RY2PPARAPPARGACEITGB3
SCHEMBL15328471 0.85 P2RY2 (0.47) P2RY2PPARAPPARGACEITGB3
SCHEMBL15344185 0.81 P2RY2 (0.44) P2RY2PPARAPPARGITGA4ITGB7
SCHEMBL15340923 0.78 P2RY2 (0.56) P2RY2
SCHEMBL15344094 0.77 P2RY2 (0.41) P2RY2ITGB3CTSSCTSKCTSL
SCHEMBL15340974 0.77 CCNE2 (0.43) 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 8 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
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
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
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 4398/4885PPARA 2396/4885PPARG 2469/4885

“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.