SCHEMBL3587892

SCHEMBL3587892

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.39
CTSK P43235 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
TNF P01375 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA5 P22460 1/20 0.33

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
SCHEMBL3583173 0.75 PTPN1 (0.33) PTPN1KMT2A
SCHEMBL31520502 0.74 CTSK (0.41) PTPN1CTSKCTSLCTSBCTSS
SCHEMBL3587893 0.73 CTSK (0.51) PTPN1CTSKCTSLCTSBCTSS
SCHEMBL3595840 0.71 CAPN1 (0.47) KMT2A
SCHEMBL30896130 0.71 FABP5 (0.43) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL29908641 0.71 FABP5 (0.43) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL29401170 0.71 FABP5 (0.43) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL119027 0.71 FABP5 (0.43) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL3728170 0.71 FABP5 (0.43) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL31732619 0.71 FABP5 (0.43) CTSKCTSLCTSBCTSSKMT2A

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 11 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
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

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 PTPN1 3447/4885CTSK 1860/4885CTSL 2116/4885
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT CAPN2, CAPN9, CAPN1 PTPN1 4021/4885CTSK 148/4885CTSL 154/4885

“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.