SCHEMBL4898956

SCHEMBL4898956

CCCCC(CC1(CSc2ncc(-c3ccc(Cl)cc3)n2C)CCC1)(NC(=O)O)C(O)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.60
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL4896984 0.86 CTSK (0.64) CTSKNPC1RAB9ASMN1; SMN2ATP1A1
SCHEMBL4900925 0.84 CTSK (0.57) CTSKRAB9ASMN1; SMN2TP53POLB
SCHEMBL4907382 0.83 CTSK (0.56) CTSKTP53POLB
SCHEMBL4904644 0.83 CTSK (0.60) CTSKKDM4EPOLBMEN1MAPT
SCHEMBL4896899 0.82 CTSK (0.53) CTSKPOLBMEN1KMT2A
SCHEMBL4898947 0.80 CTSK (0.64) CTSKNPC1RAB9ASMN1; SMN2ATP1A1
SCHEMBL14260313 0.78 CTSK (0.78) CTSK
SCHEMBL4906747 0.77 CTSK (0.54) CTSKTP53POLB
SCHEMBL4895979 0.77 CTSK (0.57) CTSKTP53POLB
SCHEMBL4904863 0.76 CTSK (0.54) CTSKPOLB

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 CTSK 1/4885NPC1 504/4885RAB9A 1828/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885NPC1 504/4885RAB9A 1828/4885

“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.