SCHEMBL3614766

SCHEMBL3614766

CCC(N)(C=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
CTSK P43235 2/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL3618267 1.00 DGAT1 (0.38) DGAT1CTSKMAOAMAOB
SCHEMBL27467334 0.85 DGAT1 (0.33) DGAT1
SCHEMBL3285480 0.82 FDPS (0.35) DGAT1CTSKMAOAMAOB
SCHEMBL5187707 0.82 FDPS (0.35) DGAT1CTSKMAOAMAOB
SCHEMBL5488672 0.81 CTSK (0.50) CTSK
SCHEMBL6706680 0.79 DGAT1 (0.34) DGAT1CTSK
SCHEMBL28714306 0.75 DGAT1 (0.40) DGAT1CTSK
SCHEMBL14485423 0.74 DGAT1 (0.48) DGAT1MAOAMAOB
SCHEMBL1433036 0.74 DGAT1 (0.43) DGAT1CTSKMAOAMAOB
SCHEMBL14485421 0.74 DGAT1 (0.48) DGAT1MAOAMAOB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
CN-1938323-A Silinane compounds as cysteine protease inhibitors SCHERING AG (DE) 2007-03-28 CN disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-7091360-B2 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMA S.A. (US) 2006-08-15 US disclosed
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
EP-1495007-A4 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARM INC (US) 2006-05-03 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
EP-1495007-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2005-01-12 EP disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
US-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AXYS PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003087068-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2003-10-23 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 (6 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-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ DGAT1 1951/4885CTSK 12/4885MAOA 1019/4885
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS DGAT1 3444/4885CTSK 4/4885MAOA 1576/4885
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ DGAT1 1951/4885CTSK 12/4885MAOA 1019/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS DGAT1 4431/4885CTSK 8/4885MAOA 2142/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE DGAT1 2220/4885CTSK 7/4885MAOA 1743/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS DGAT1 4611/4885CTSK 7/4885MAOA 2322/4885

“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.