SCHEMBL16017455

SCHEMBL16017455

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SIRT2 Q8IXJ6 12/20 0.34
PIN1 Q13526 2/20 0.32
CNR2 P34972 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
PPARA Q07869 1/20 0.32

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 0.87 TP53 (0.38) MAPTSIRT2
SCHEMBL16017463 0.87 TP53 (0.38) MAPTSIRT2
SCHEMBL16019944 0.83 ACE (0.48) PPARGALDH1A1ACEPPARA
SCHEMBL27405017 0.76 POLB (0.36) ALDH1A1MAPTCNR2
SCHEMBL7969401 0.76 AKR1B1 (0.36) ALDH1A1MAPT
SCHEMBL14454002 0.75 SIRT2 (0.57) SIRT2
SCHEMBL23532128 0.73 CYP11B1 (0.36) ALDH1A1SIRT2
SCHEMBL689517 0.73 CYP11B1 (0.36)
SCHEMBL688676 0.73 KEAP1 (0.40) ALDH1A1MAPT
SCHEMBL16017454 0.72 MAPT (0.34) ALDH1A1MAPTSIRT2PIN1

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 NPSR1 2382/4885PPARG 3930/4885ALDH1A1 3635/4885

“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.