SCHEMBL4662963

SCHEMBL4662963

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccc(Cl)cc2)C(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CCR1 P32246 11/20 0.44
TRPA1 O75762 1/20 0.43
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CACNA1B Q00975 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL5117293 1.00 KMT2A (0.45) KMT2AMEN1CCR1TRPA1PPARG
SCHEMBL4662966 1.00 KMT2A (0.45) KMT2AMEN1CCR1TRPA1PPARG
SCHEMBL4833362 0.92 KMT2A (0.44) KMT2AMEN1CCR1TRPA1PPARG
SCHEMBL5119391 0.92 KMT2A (0.44) KMT2AMEN1CCR1TRPA1PPARG
SCHEMBL4833369 0.92 KMT2A (0.44) KMT2AMEN1CCR1TRPA1PPARG
SCHEMBL5119388 0.92 KMT2A (0.44) KMT2AMEN1CCR1TRPA1PPARG
SCHEMBL5119468 0.91 KMT2A (0.49) KMT2AMEN1CCR1
SCHEMBL5119477 0.91 KMT2A (0.49) KMT2AMEN1CCR1
SCHEMBL4662831 0.91 KMT2A (0.49) KMT2AMEN1CCR1
SCHEMBL14307924 0.89 KMT2A (0.47) KMT2AMEN1CCR1TRPA1PPARG

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
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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 (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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 KMT2A 3407/4885MEN1 2302/4885CCR1 1812/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KMT2A 3407/4885MEN1 2302/4885CCR1 1812/4885

“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.