SCHEMBL20187250

SCHEMBL20187250

CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.61
CTSK P43235 6/20 0.61
PPARG P37231 1/20 0.58
PPARA Q07869 1/20 0.58
ACE P12821 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CTSL P07711 3/20 0.48
CTSB P07858 1/20 0.48
CA2 P00918 1/20 0.46
PTPN1 P18031 1/20 0.46
SCN9A Q15858 1/20 0.46
REN P00797 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
SCHEMBL18228983 1.00 CTSS (0.61) CTSSCTSKPPARGPPARAACE
SCHEMBL3821796 0.92 PPARA (0.60) CTSSCTSKPPARGPPARAACE
SCHEMBL199415 0.90 PPARA (0.68) CTSSCTSKPPARGPPARAACE
SCHEMBL441283 0.90 PPARA (0.68) CTSSCTSKPPARGPPARAACE
SCHEMBL440723 0.90 PPARA (0.68) CTSSCTSKPPARGPPARAACE
SCHEMBL18229063 0.89 CTSL (0.51) CTSSCTSKPPARGPPARAACE
SCHEMBL3840582 0.88 PPARG (0.58) CTSSCTSKPPARGPPARAACE
SCHEMBL22962027 0.87 CTSS (0.69) CTSSCTSKPPARGPPARAACE
SCHEMBL18229001 0.87 CTSL (0.51) CTSSCTSKACEITGB3CTSL
SCHEMBL20187248 0.87 CTSL (0.51) CTSSCTSKACEITGB3CTSL

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
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

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 CTSS 905/4885CTSK 1803/4885PPARG 630/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH CTSS 905/4885CTSK 1803/4885PPARG 630/4885

“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.