SCHEMBL4535888

SCHEMBL4535888

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCOC1=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.76
CTSL P07711 11/20 0.76
CTSS P25774 9/20 0.76
CTSB P07858 4/20 0.64

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
SCHEMBL7514927 0.94 CTSK (0.77) CTSKCTSLCTSSCTSB
SCHEMBL7513191 0.89 CTSL (0.67) CTSKCTSLCTSSCTSB
SCHEMBL21110049 0.85 CTSK (0.71) CTSKCTSLCTSSCTSB
SCHEMBL7512878 0.83 CTSL (0.65) CTSKCTSLCTSSCTSB
SCHEMBL3580964 0.83 CTSK (0.54) CTSKCTSLCTSSCTSB
SCHEMBL21109216 0.82 CTSK (0.72) CTSKCTSLCTSSCTSB
SCHEMBL6060180 0.81 MEN1 (0.63)
SCHEMBL7511180 0.81 MEN1 (0.63)
SCHEMBL3169636 0.81 MEN1 (0.63)
SCHEMBL21109664 0.81 CTSK (0.72) CTSKCTSLCTSSCTSB

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-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-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-7465721-B2 2-hydroxytetrahydrofuran derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-16 US 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
US-7384933-B2 Derivatives of 2-hydroxytetrahydrofuran and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-06-10 US 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
US-20060166893-A1 Novel 2-hydroxytetrahydrofurane derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2006-07-27 US disclosed
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-10-06 US disclosed
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP disclosed
US-5496834-A PEPTIDE DERIVATIVES AS CATHEPSIN L INHIBITORS AND INHIBITORS OF BONE RESORPTION OR TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-05 US disclosed
EP-0641800-A1 Lactol derivatives as inhibiters of cathepsin L Takeda Chemical Industries, Ltd. (JP) 1995-03-08 EP 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 (3 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-20060166893-A1 Novel 2-hydroxytetrahydrofurane derivatives and use thereof as medicaments CAPN2, CAPN1, CAPNS1 CTSK 294/4885CTSL 355/4885CTSS 86/4885
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-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments CAPN1, MYH10, CAPN9 CTSK 2198/4885CTSL 1992/4885CTSS 737/4885

“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.