SCHEMBL4907948

SCHEMBL4907948

C[C@@H](NC(=O)C(O)[C@H](CCCC(NC(=O)OCc1ccccc1)C(C)(C)C)NC(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MMP9 P14780 1/20 0.43
MMP2 P08253 6/20 0.43
MMP3 P08254 4/20 0.43
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
ATM Q13315 1/20 0.42
TACR1 P25103 1/20 0.41
TACR3 P29371 1/20 0.41
CTSK P43235 4/20 0.41
PSMB1 P20618 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BMP1 P13497 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
SCHEMBL4819908 0.84 FOLH1 (0.49)
SCHEMBL4819898 0.84 FOLH1 (0.49)
SCHEMBL4904605 0.83 POLB (0.44) MMP2MMP3CTSKMEN1KMT2A
SCHEMBL418665 0.81 CYP3A4 (0.53) CYP3A4TSHRMMP9CTSLCTSS
SCHEMBL418578 0.81 CYP3A4 (0.53) CYP3A4TSHRMMP9CTSLCTSS
SCHEMBL4897018 0.79 POLB (0.46) MMP9MMP2MMP3CTSKMEN1
SCHEMBL14104857 0.79 MAPT (0.58) MEN1KMT2A
SCHEMBL4906490 0.77 CTSS (0.44) CYP3A4CTSLCTSSMEN1KMT2A
SCHEMBL4814646 0.77 POLB (0.50) MMP9MMP2MMP3MEN1KMT2A
SCHEMBL4814666 0.77 POLB (0.50) MMP9MMP2MMP3MEN1KMT2A

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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CYP3A4 3318/4885TSHR 3687/4885MMP9 633/4885

“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.