SCHEMBL18229003

SCHEMBL18229003

CCOC(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.49
ACE P12821 4/20 0.49
CPA1 P15085 3/20 0.49
ACE2 Q9BYF1 3/20 0.49
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA2 P00918 2/20 0.45
CTSL P07711 3/20 0.45
GPR34 Q9UPC5 1/20 0.43
CTSB P07858 2/20 0.42

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
SCHEMBL18228972 0.90 CTSS (0.50) MMEACECPA1ACE2CTSS
SCHEMBL18765748 0.89 ALDH1A1 (0.54) MMEACECPA1ACE2CTSS
SCHEMBL4850176 0.89 ALDH1A1 (0.54) MMEACECPA1ACE2CTSS
Hydrochloric Acid SCHEMBL27637902 0.88 ALDH1A1 (0.53) MMEACECPA1ACE2CTSS
SCHEMBL20187266 0.87 ITGB3 (0.56) MMECTSSCTSKITGB3CTSL
SCHEMBL18228971 0.87 ITGB3 (0.56) MMECTSSCTSKITGB3CTSL
SCHEMBL20187263 0.85 CTSS (0.66) ACECTSSCTSKITGB3ITGAV
SCHEMBL18228975 0.85 CTSS (0.66) ACECTSSCTSKITGB3ITGAV
SCHEMBL20187271 0.85 MME (0.52) MMEACECPA1ACE2CTSS
SCHEMBL20187268 0.85 MME (0.52) MMEACECPA1ACE2CTSS

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
EP-3280721-B1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2020-07-22 EP disclosed
US-10287316-B2 Process for preparation of nitrogen mustard derivatives ONCOPEPTIDES AB (SE) 2019-05-14 US disclosed
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2018-05-31 US disclosed
EP-3280721-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES Oncopeptides AB (SE) 2018-02-14 EP disclosed
WO-2016180740-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2016-11-17 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 (2 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-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH MME 270/4885ACE 1077/4885CPA1 510/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH MME 270/4885ACE 1077/4885CPA1 510/4885

“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.