SCHEMBL7027635

SCHEMBL7027635

NCCCC[C@H](NC(=O)Cc1cccnc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
EPHX2 P34913 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
NAPRT Q6XQN6 1/20 0.48
FOLH1 Q04609 1/20 0.48
SLC15A2 Q16348 1/20 0.47
ECE1 P42892 1/20 0.47
GPR132 Q9UNW8 5/20 0.47
HRH1 P35367 2/20 0.46
LMNA P02545 1/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44

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
SCHEMBL7027632 1.00 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C9EPHX2ITGB3
SCHEMBL21625040 0.88 CYP3A4 (0.52) CYP3A4CYP1A2CYP2C9ITGB3ITGA2B
SCHEMBL21625039 0.88 CYP3A4 (0.52) CYP3A4CYP1A2CYP2C9ITGB3ITGA2B
SCHEMBL22129697 0.86 ITGB3 (0.64) ITGB3ITGA2BFOLH1
SCHEMBL22129699 0.86 ITGB3 (0.64) ITGB3ITGA2BFOLH1
SCHEMBL9350149 0.83 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C9EPHX2NAPRT
SCHEMBL1133843 0.82 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C9FOLH1HRH1
SCHEMBL22635849 0.82 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C9FOLH1HRH1
SCHEMBL29666227 0.82 ERAP2 (0.52) CYP3A4FOLH1SLC15A2ECE1HRH1
SCHEMBL8524876 0.82 ITGB3 (0.62) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030198598-A1 Polypeptide derivatives ALBERT RAINER (CH) 2003-10-23 US claimed
EP-0436005-B1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1995-03-29 EP claimed
EP-0436005-A1 LABELED POLYPEPTIDE DERIVATIVES. SANDOZ LTD (CH) 1991-07-10 EP claimed
WO-1991001144-A1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1991-02-07 WO claimed
WO-1989009786-A1 PEPTIDE DERIVATIVES SANDOZ AG (CH) 1989-10-19 WO claimed
US-20030198598-A1 Polypeptide derivatives ALBERT RAINER (CH) 2003-10-23 US disclosed
EP-0822827-B1 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2003-03-05 EP disclosed
US-5686410-A EPIDERMAL GROWTH FACTOR WITH CHELATING GROUP NOVARTIS AG (CH) 1997-11-11 US disclosed
US-5541159-A PEPTIDE HORMONE ANTAGONIST SANDOZ LTD. (CH) 1996-07-30 US disclosed
EP-0436005-B1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1995-03-29 EP disclosed
EP-0436005-A1 LABELED POLYPEPTIDE DERIVATIVES. SANDOZ LTD (CH) 1991-07-10 EP disclosed
WO-1991001144-A1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1991-02-07 WO disclosed
WO-1989009786-A1 PEPTIDE DERIVATIVES SANDOZ AG (CH) 1989-10-19 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-20030198598-A1 Polypeptide derivatives HDGF, IGFBP1, VIP CYP3A4 4838/4885CYP1A2 4869/4885CYP2C9 4856/4885

“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.