SCHEMBL4837883

SCHEMBL4837883

CCC(C)(C)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
CTSL P07711 3/20 0.51
CTSS P25774 3/20 0.51
CTSB P07858 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
MBOAT4 Q96T53 1/20 0.50
CTSK P43235 5/20 0.49
SYK P43405 1/20 0.49

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
SCHEMBL4837891 1.00 KYNU (0.55) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL14567484 0.91 SIRT2 (0.53) SIRT2SIRT1ALDH1A1ALOX15CTSL
SCHEMBL4407907 0.91 SIRT2 (0.53) SIRT2SIRT1ALDH1A1ALOX15CTSL
SCHEMBL5189293 0.88 KYNU (0.57) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL2156000 0.86 KYNU (0.58) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL2155610 0.86 KYNU (0.58) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL15613297 0.84 CTSK (0.65) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL15757065 0.84 CTSK (0.65) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL22161320 0.84 CTSK (0.65) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL8386880 0.83 SIRT2 (0.67) KYNUSIRT2SIRT1SIRT3ALDH1A1

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-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-7186827-B2 Dipeptide synthesis BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-06 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

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 KYNU 1178/4885SIRT2 1562/4885SIRT1 1084/4885
US-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ KYNU 1169/4885SIRT2 1461/4885SIRT1 1180/4885

“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.