SCHEMBL4192198

SCHEMBL4192198

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(O)C1Br

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
CMA1 P23946 13/20 0.44
ELANE P08246 2/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
PREP P48147 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL27629823 1.00 CTSL (0.49) CTSLCTSBCTSKCMA1ELANE
SCHEMBL6424293 1.00 CTSL (0.49) CTSLCTSBCTSKCMA1ELANE
SCHEMBL6427701 1.00 CTSL (0.49) CTSLCTSBCTSKCMA1ELANE
SCHEMBL6423730 0.83 CTSL (0.54) CTSLCTSBCTSKCMA1ELANE
SCHEMBL6294320 0.83 CTSL (0.53) CTSLCTSBCTSKCMA1ELANE
SCHEMBL13885550 0.83 CTSL (0.53) CTSLCTSBCTSKCMA1ELANE
SCHEMBL8168155 0.81 CMA1 (0.61) CTSLCTSBCTSKCMA1ELANE
SCHEMBL17378396 0.81 CMA1 (0.61) CTSLCTSBCTSKCMA1ELANE
SCHEMBL4445986 0.81 CMA1 (0.61) CTSLCTSBCTSKCMA1ELANE
SCHEMBL13258959 0.81 CMA1 (0.51) CTSLCTSBCTSKCMA1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612103-B2 Such as 14-O-[4-hydroxy-N-valyl-piperidin-3-yl]-sulfanylacetylmutilin NABRIVA THERAPEUTICS AG (AT) 2009-11-03 US disclosed
EP-1534678-B1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBBIALS NABRIVA THERAPEUTICS FORSCHUNG (AT) 2007-10-31 EP disclosed
US-20050250811-A1 Such as 14-O-[4-hydroxy-N-valyl-piperidin-3-yl]-sulfanylacetylmutilin HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2005-11-10 US disclosed
EP-1534678-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBBIALS Sandoz AG (CH) 2005-06-01 EP disclosed
WO-2004011431-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBBIALS SANDOZ AG (CH) 2004-02-05 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 (1 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-20050250811-A1 Such as 14-O-[4-hydroxy-N-valyl-piperidin-3-yl]-sulfanylacetylmutilin ALK, AHR, ASPH CTSL 1541/4885CTSB 3138/4885CTSK 3912/4885

“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.