SCHEMBL12467366

SCHEMBL12467366

CCC(=O)C(NC(=O)OCc1ccncc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
POLB P06746 1/20 0.44
SYK P43405 1/20 0.41
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
CTSB P07858 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL12330381 0.86 SYK (0.54) SYKATMCTSLCTSSCTSK
SCHEMBL14943446 0.86 POLB (0.46) NAMPTPOLBSYKATMKEAP1
SCHEMBL12467352 0.85 TGM2 (0.42) SYKATMCTSLCTSSCTSK
SCHEMBL12401149 0.85 POLB (0.48) NAMPTPOLBSYKATMKEAP1
SCHEMBL12505557 0.84 KMT2A (0.51) SYK
SCHEMBL12482931 0.79 MEN1 (0.40) SYKCTSLCTSSCTSKCTSB
SCHEMBL1335603 0.77 POLB (0.53) NAMPTPOLBATMKEAP1NFE2L2
SCHEMBL12467248 0.77 NPC1 (0.51) ATMCTSK
SCHEMBL12482941 0.75 TGM2 (0.43) SYK
SCHEMBL15368941 0.75 L3MBTL1 (0.41) SYKATMCYP3A4

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-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 NAMPT 1413/4885POLB 3945/4885SYK 3721/4885

“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.