SCHEMBL15328405

SCHEMBL15328405

NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)CNc1ncc(CO)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
ACE P12821 3/20 0.38
OPRD1 P41143 8/20 0.38
OPRM1 P35372 5/20 0.38
OPRK1 P41145 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PIK3CA P42336 1/20 0.36
APC P25054 1/20 0.36
MMP3 P08254 1/20 0.36
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPY4R P50391 1/20 0.35
NPY5R Q15761 1/20 0.35
LHCGR P22888 1/20 0.35

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
SCHEMBL15328402 1.00 HPGDS (0.39) HPGDSACEOPRD1OPRM1OPRK1
SCHEMBL15328270 0.88 ACE (0.45) ACEOPRD1OPRM1OPRK1PTPN2
SCHEMBL15328267 0.88 ACE (0.45) ACEOPRD1OPRM1OPRK1PTPN2
SCHEMBL12470418 0.87 OPRD1 (0.41) HPGDSACEOPRD1OPRM1OPRK1
SCHEMBL15328295 0.87 OPRD1 (0.41) HPGDSACEOPRD1OPRM1OPRK1
SCHEMBL15328504 0.87 ACE (0.44) ACEOPRD1OPRM1OPRK1PTPN2
SCHEMBL15328503 0.87 ACE (0.44) ACEOPRD1OPRM1OPRK1PTPN2
SCHEMBL15328425 0.85 HPGDS (0.42) HPGDSACEOPRD1OPRM1OPRK1
SCHEMBL15328417 0.85 HPGDS (0.42) HPGDSACEOPRD1OPRM1OPRK1
SCHEMBL15328485 0.84 OPRD1 (0.50) ACEOPRD1OPRM1OPRK1APC

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 3 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
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

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 HPGDS 2022/4885ACE 1283/4885OPRD1 4530/4885

“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.