SCHEMBL3587893

SCHEMBL3587893

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCOC1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.51
CTSL P07711 4/20 0.51
CTSS P25774 3/20 0.51
CAPN1 P07384 1/20 0.47
PTPN1 P18031 3/20 0.47
CTSB P07858 2/20 0.45

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
SCHEMBL3588992 0.91 CASP1 (0.46) CTSKCTSLCTSSCAPN1PTPN1
SCHEMBL8807944 0.87 CAPN1 (0.54) CTSKCTSLCTSSCAPN1PTPN1
SCHEMBL4560987 0.85 CAPN1 (0.58) CAPN1
SCHEMBL7514726 0.83 CTSK (0.61) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL3592461 0.82 CTSK (0.64) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7514109 0.80 CTSK (0.62) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL3577128 0.80 CTSK (0.62) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL4621195 0.80 CTSK (0.62) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL8406499 0.80 CTSK (0.62) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL4622199 0.80 CTSK (0.62) CTSKCTSLCTSSCAPN1CTSB

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-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2009-01-15 US claimed
EP-1954288-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-08-13 EP claimed
WO-2007045761-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-04-26 WO claimed
US-8642591-B2 Composition containing amidine derivatives or carboxamide derivatives and steroids, as a medicament IPSEN PHARMA S.A.S. (FR) 2014-02-04 US disclosed
EP-1993555-B1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT IPSEN PHARMA (FR) 2012-10-17 EP disclosed
EP-1954288-B1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE IPSEN PHARMA (FR) 2012-08-01 EP disclosed
US-7659266-B2 Amidine derivatives and their applications as a medicament S.C.R.A.S. (FR) 2010-02-09 US disclosed
US-20090149430-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2009-06-11 US disclosed
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2009-01-15 US disclosed
EP-1993555-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2008-11-26 EP disclosed
EP-1954288-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-08-13 EP disclosed
WO-2007101937-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-09-13 WO disclosed
WO-2007045761-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-04-26 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-20090149430-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT MC2R, CYP11B2, NR3C2 CTSK 1860/4885CTSL 2116/4885CTSS 1982/4885
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT CAPN2, CAPN9, CAPN1 CTSK 148/4885CTSL 154/4885CTSS 210/4885

“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.