SCHEMBL4908421

SCHEMBL4908421

CCCC[C@](C)(NC(=O)OC1(c2nc3ccccc3s2)CCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT1 P42224 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 2/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL6648974 0.81 CTSK (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4908419 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4907310 0.76 CTSK (0.57) ALDH1A1L3MBTL1
SCHEMBL4903969 0.75 CTSK (0.58) ALDH1A1L3MBTL1HTT
SCHEMBL4901597 0.74 CTSK (0.57) L3MBTL1
SCHEMBL6645916 0.73 CTSK (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6645914 0.73 CTSK (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14260249 0.71 CTSK (0.60)
SCHEMBL4904930 0.67 NPC1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4907443 0.66 MAPT (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 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 (2 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE NPC1 504/4885RAB9A 1828/4885SMN1; SMN2 4698/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE NPC1 504/4885RAB9A 1828/4885SMN1; SMN2 4698/4885

“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.