SCHEMBL12467326

SCHEMBL12467326

CCC(=O)C(NC(=O)OCc1cccnc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
GPR132 Q9UNW8 2/20 0.48
FAAH O00519 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSL P07711 3/20 0.46
CTSB P07858 3/20 0.46
HDAC1 Q13547 1/20 0.46
NAMPT P43490 1/20 0.46
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45

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
SCHEMBL6447557 0.88 ALDH1A1 (0.55) CYP3A4GPR132FAAHALDH1A1MEN1
SCHEMBL7269609 0.88 GPR132 (0.61) CYP3A4GPR132ALDH1A1MEN1LMNA
SCHEMBL7269614 0.88 GPR132 (0.61) CYP3A4GPR132ALDH1A1MEN1LMNA
SCHEMBL6447561 0.88 ALDH1A1 (0.55) CYP3A4GPR132FAAHALDH1A1MEN1
SCHEMBL12330200 0.88 CYP3A4 (0.55) CYP3A4GPR132FAAHALDH1A1MEN1
SCHEMBL6446200 0.86 GPR132 (0.60) CYP3A4GPR132ALDH1A1MEN1LMNA
SCHEMBL6446192 0.86 GPR132 (0.60) CYP3A4GPR132ALDH1A1MEN1LMNA
Lithium Ion SCHEMBL6446195 0.85 CYP3A4 (0.53) CYP3A4GPR132FAAHALDH1A1MEN1
SCHEMBL8219125 0.84 CTSL (0.59) CYP3A4MEN1LMNAKMT2ACTSL
SCHEMBL8219127 0.84 CTSL (0.59) CYP3A4MEN1LMNAKMT2ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 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-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CYP3A4 527/4885GPR132 3590/4885FAAH 1206/4885

“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.