SCHEMBL4836398

SCHEMBL4836398

CCC(C)(C)CCC(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.45
CTSS P25774 5/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
KLK5 Q9Y337 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CAPN1 P07384 1/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL24299005 0.87 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL6354784 0.87 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL4835423 0.86 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL4835405 0.86 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL4837541 0.86 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL5744187 0.84 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL31341213 0.84 CTSK (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL5040904 0.84 CTSK (0.60) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18082612 0.84 CTSK (0.60) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18130977 0.84 CTSK (0.60) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
EP-1606258-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-12-21 EP disclosed
US-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 US disclosed
WO-2004083182-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US 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-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ CTSK 7/4885CTSS 1/4885CYP1A2 2285/4885
US-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ CTSK 7/4885CTSS 1/4885CYP1A2 2273/4885

“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.