SCHEMBL3047502

SCHEMBL3047502

COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
ELANE P08246 1/20 0.41
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
PREP P48147 1/20 0.40
PEPD P12955 1/20 0.39
CTSS P25774 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CMA1 P23946 4/20 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
SCHEMBL4448935 1.00 CTSL (0.44) CTSLCTSKCTSBALDH1A1HDAC8
SCHEMBL3047503 1.00 CTSL (0.44) CTSLCTSKCTSBALDH1A1HDAC8
SCHEMBL4448932 1.00 CTSL (0.44) CTSLCTSKCTSBALDH1A1HDAC8
SCHEMBL6741915 0.89 ATM (0.48) CTSLCTSKCTSBHDAC8ELANE
SCHEMBL25348299 0.89 ATM (0.48) CTSLCTSKCTSBHDAC8ELANE
SCHEMBL19318679 0.89 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDMEN1
SCHEMBL12098413 0.89 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDMEN1
SCHEMBL12098416 0.89 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDMEN1
SCHEMBL1440998 0.89 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPPEPDMEN1
SCHEMBL24441116 0.87 CTSL (0.43) CTSLCTSKCTSBHDAC8ELANE

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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CTSL 2124/4885CTSK 1630/4885CTSB 1766/4885

“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.