SCHEMBL839816

SCHEMBL839816

CCOC(=O)C(CC(C)C)NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.59
CTSK P43235 3/20 0.59
CTSB P07858 2/20 0.59
CTSS P25774 2/20 0.59
TAS1R3 Q7RTX0 8/20 0.58
TAS1R1 Q7RTX1 8/20 0.58
PPID Q08752 1/20 0.51
POLB P06746 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP26A1 O43174 1/20 0.51
PSMB5 P28074 2/20 0.50

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
SCHEMBL839616 1.00 CTSL (0.59) CTSLCTSKCTSBCTSSTAS1R3
SCHEMBL838492 1.00 CTSL (0.59) CTSLCTSKCTSBCTSSTAS1R3
SCHEMBL11318126 0.88 CTSL (0.51) CTSLCTSKCTSBCTSSTAS1R3
SCHEMBL25496208 0.88 TAS1R3 (0.61) CTSKCTSSTAS1R3TAS1R1PPID
SCHEMBL10407750 0.88 TAS1R3 (0.68) CTSLCTSKCTSBCTSSTAS1R3
SCHEMBL6241209 0.88 TAS1R3 (0.68) CTSLCTSKCTSBCTSSTAS1R3
SCHEMBL6648068 0.87 CYP26A1 (0.50) CTSLCTSKCTSBCTSSTAS1R3
SCHEMBL29188972 0.86 CYP26A1 (0.54) CTSLTDP1CYP26A1
SCHEMBL810660 0.86 TAS1R3 (0.68) TAS1R3TAS1R1PPIDPOLBL3MBTL1
SCHEMBL28814272 0.86 TAS1R3 (0.60) CTSLCTSKCTSBCTSSTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US disclosed
CN-101248184-B Process for production of optically active (S or R)-a-amino acid or optically active (S or R)-a -amino acid ester UBE INDUSTRIES 2013-01-16 CN disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US disclosed
US-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20090042260-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE (S OR R)-ALPHA-AMINO ACID AND OPTICALLY ACTIVE (R OR S)-ALPHA-AMINO ACID ESTER UBE INDUSTRIES, LTD. (JP) 2009-02-12 US disclosed
CN-101248184-A Process for production of optically active (S or R)-a-amino acid or optically active (S or R)-a -amino acid ester UBE INDUSTRIES (JP) 2008-08-20 CN disclosed
EP-1942193-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE (S OR R)-a-AMINO ACID OR OPTICALLY ACTIVE (S OR R)-a -AMINO ACID ESTER Ube Industries, Ltd. (JP) 2008-07-09 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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ CTSL 8/4885CTSK 4/4885CTSB 1/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSL 8/4885CTSK 4/4885CTSB 1/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSL 8/4885CTSK 4/4885CTSB 1/4885

“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.