SCHEMBL16017463

SCHEMBL16017463

CCOC(=O)[C@@H](Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1)NC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CYP26A1 O43174 1/20 0.36
SIRT2 Q8IXJ6 8/20 0.36
MMP8 P22894 1/20 0.35
TSHR P16473 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 1/20 0.34
HPRT1 P00492 1/20 0.34

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
SCHEMBL16017457 1.00 TP53 (0.38) TP53CYP26A1SIRT2MMP8TSHR
SCHEMBL16017455 0.87 NPSR1 (0.36) SIRT2MAPT
SCHEMBL16019986 0.86 SCN9A (0.43) TP53TSHRMAPT
SCHEMBL16017454 0.81 MAPT (0.34) SIRT2MMP8TSHRGABRA2GABRB2
SCHEMBL16019962 0.79 AAK1 (0.38) TP53TSHRMAPTL3MBTL1SMN1; SMN2
SCHEMBL689021 0.77 LMNA (0.44) TP53TSHRMAPTLMNASMN1; SMN2
SCHEMBL1562700 0.74 MAPT (0.45) TP53TSHRGABRA2GABRB2MAPT
SCHEMBL8720494 0.74 GAA (0.39) TSHRMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL23532128 0.72 CYP11B1 (0.36) TP53SIRT2TSHRLMNASMN1; SMN2
SCHEMBL27405017 0.72 POLB (0.36) MAPTL3MBTL1LMNASMN1; SMN2

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-20140256698-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2014-09-11 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-20140256698-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV TP53 581/4885CYP26A1 3051/4885SIRT2 1509/4885

“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.