SCHEMBL8210495

SCHEMBL8210495

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CXCR5 P32302 3/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
GLS O94925 1/20 0.42
CA2 P00918 1/20 0.41
PROC P04070 1/20 0.41
APP P05067 1/20 0.41
TRPA1 O75762 1/20 0.41
GHSR Q92847 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8212655 0.93 GHSR (0.48) CTSSCTSKMEN1KMT2AATM
SCHEMBL13223070 0.84 MMP13 (0.42) CTSSCTSKMEN1KMT2AATM
SCHEMBL1425219 0.82 GHSR (0.53) CXCR5GHSR
SCHEMBL29707280 0.82 GHSR (0.53) CXCR5GHSR
SCHEMBL8203082 0.80 CTSK (0.52) CTSSCTSKMEN1KMT2AATM
SCHEMBL13223077 0.79 CTSK (0.51) CTSSCTSKMEN1KMT2AATM
SCHEMBL8202465 0.79 CTSK (0.51) CTSSCTSKMEN1KMT2AATM
SCHEMBL5404964 0.76 GHSR (0.47) CXCR5GHSR
SCHEMBL2813574 0.75 GHSR (0.63) CXCR5GHSR
SCHEMBL18614234 0.75 GHSR (0.63) CXCR5GHSR

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 CTSS 1782/4885CTSK 1630/4885MEN1 2302/4885

“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.