SCHEMBL20187271

SCHEMBL20187271

COc1ccc(COC(=O)NC(Cc2ccc(N)cc2)C(=O)NC(Cc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
F2 P00734 1/20 0.51
ITGB3 P05106 6/20 0.50
ITGA2B P08514 6/20 0.50
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
ATM Q13315 1/20 0.49
GPR34 Q9UPC5 1/20 0.48
CTSB P07858 1/20 0.46

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
SCHEMBL20187268 1.00 MME (0.52) MMEACECPA1ACE2HDAC8
SCHEMBL18228971 0.90 ITGB3 (0.56) MMEF2ITGB3ITGA2BCTSL
SCHEMBL20187266 0.90 ITGB3 (0.56) MMEF2ITGB3ITGA2BCTSL
SCHEMBL20187267 0.88 KDM1A (0.50) MMEACECPA1ACE2ITGB3
SCHEMBL20187270 0.88 KDM1A (0.50) MMEACECPA1ACE2ITGB3
SCHEMBL20187252 0.87 CTSL (0.57) MMEACECPA1ACE2HDAC8
SCHEMBL20187253 0.87 CTSL (0.57) MMEACECPA1ACE2HDAC8
SCHEMBL14684392 0.86 HDAC8 (0.64) HDAC8F2ITGB3ITGA2BCTSL
SCHEMBL7317573 0.86 HDAC8 (0.64) HDAC8F2ITGB3ITGA2BCTSL
SCHEMBL18228972 0.86 CTSS (0.50) 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 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 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.