SCHEMBL8203082

SCHEMBL8203082

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 3/20 0.52
PREP P48147 1/20 0.43
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
KMT2A Q03164 2/20 0.38
TRPA1 O75762 1/20 0.38
PSENEN Q9NZ42 1/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL13223077 0.99 CTSK (0.51) CTSKCTSSPREPCTSLCTSB
SCHEMBL8202465 0.99 CTSK (0.51) CTSKCTSSPREPCTSLCTSB
SCHEMBL8210495 0.80 CTSS (0.46) CTSKCTSSCA2KMT2ATRPA1
SCHEMBL8212655 0.79 GHSR (0.48) CTSKCTSSCA2KMT2AMEN1
SCHEMBL76966 0.79 BTK (0.38) CTSLKMT2APSENENMEN1
SCHEMBL3817398 0.78 CTSL (0.46) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL550992 0.78 FAAH (0.39) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL8981350 0.78 FAAH (0.39) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL8980908 0.78 FAAH (0.39) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL1012064 0.78 FAAH (0.39) CTSSCTSLCTSBKMT2AMEN1

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 3 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
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 CTSK 1630/4885CTSS 1782/4885PREP 2626/4885

“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.