SCHEMBL21757263

SCHEMBL21757263

CCCCCCCC(C)(C)C(=O)CN

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.47
FDPS P14324 2/20 0.47
CES2 O00748 2/20 0.42
FAAH O00519 7/20 0.41
CES1 P23141 5/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GGPS1 O95749 1/20 0.41

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
SCHEMBL24599673 1.00 SMPD1 (0.47) SMPD1FDPSCES2FAAHCES1
SCHEMBL20857597 0.98 FDPS (0.45) SMPD1FDPSCES2FAAHCES1
SCHEMBL24599562 0.83 SMPD1 (0.47) SMPD1FDPSCES2FAAHCES1
SCHEMBL23987201 0.83 SMPD1 (0.47) SMPD1FDPSCES2FAAHCES1
SCHEMBL8895992 0.83 CES2 (0.45) FDPSCES2FAAHCES1MEN1
SCHEMBL13267820 0.83 CES2 (0.45) FDPSCES2FAAHCES1MEN1
SCHEMBL21117971 0.82 FAAH (0.46) SMPD1FDPSCES2FAAHCES1
SCHEMBL18386560 0.82 SMPD1 (0.46) SMPD1FDPSCES2FAAHCES1
SCHEMBL20169528 0.82 CES2 (0.42) CES2FAAHCES1MEN1CYP1A2
SCHEMBL8899029 0.81 FAAH (0.47) CES2FAAHCES1MEN1CYP1A2

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-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2020-02-27 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-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 SMPD1 417/4885FDPS 4746/4885CES2 4702/4885

“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.