SCHEMBL1002114

SCHEMBL1002114

CC(C)(C)OC(=O)N(I)C(CN)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
PPARA Q07869 2/20 0.46
CTSS P25774 1/20 0.44
PPARG P37231 1/20 0.42
MAOB P27338 1/20 0.41
SLC1A1 P43005 1/20 0.40
SYK P43405 1/20 0.39
CA1 P00915 1/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
AKT1 P31749 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL210654 0.86 L3MBTL1 (0.50) NPSR1L3MBTL1PPARACTSSPPARG
SCHEMBL210653 0.86 L3MBTL1 (0.50) NPSR1L3MBTL1PPARACTSSPPARG
SCHEMBL6859161 0.82 L3MBTL1 (0.50) NPSR1L3MBTL1PPARACTSSPPARG
SCHEMBL4859584 0.78 NPSR1 (0.47) NPSR1L3MBTL1PPARACTSSPPARG
SCHEMBL4864100 0.78 NPSR1 (0.48) NPSR1L3MBTL1PPARACTSSPPARG
SCHEMBL4679985 0.74 SYK (0.47) L3MBTL1SYK
SCHEMBL1374797 0.73 PPARA (0.52) NPSR1L3MBTL1PPARACTSSPPARG
SCHEMBL1374794 0.73 PPARA (0.52) NPSR1L3MBTL1PPARACTSSPPARG
SCHEMBL6318931 0.73 PPARA (0.52) NPSR1L3MBTL1PPARACTSSPPARG
SCHEMBL6316448 0.73 ATM (0.42) L3MBTL1CTSSAKT1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863465-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2011-01-04 US disclosed
US-20080009504-A1 Antifungal agents SCYNEXIS, INC. 2008-01-10 US 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-20080009504-A1 Antifungal agents DPM1, MAN2B1, MAN2A1 NPSR1 3994/4885L3MBTL1 3320/4885PPARA 4684/4885

“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.