SCHEMBL7043359

SCHEMBL7043359

CC(C)CN(C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nccs1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
F2 P00734 4/20 0.41
F10 P00742 2/20 0.41
F11 P03951 2/20 0.41
CYP3A4 P08684 4/20 0.40
PLA2G4A P47712 1/20 0.39
CES1 P23141 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
PRSS1 P07477 1/20 0.37
CTSK P43235 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL6464475 0.89 MMP2 (0.46) MMP2MMP3MMP7F2F10
SCHEMBL7133729 0.81 SMN1; SMN2 (0.42) MMP3CTSKCTSLCTSB
SCHEMBL7045498 0.80 PRSS8 (0.49) CYP3A4CES1CTSKCTSLCTSB
SCHEMBL6465941 0.80 CTSL (0.40) CTSLCTSB
SCHEMBL7043357 0.78 PLA2G4A (0.45) MMP2MMP3MMP7F2F10
SCHEMBL6462329 0.77 PLA2G4A (0.44) MMP2MMP3MMP7F2F10
SCHEMBL7130607 0.76 SMN1; SMN2 (0.42) MMP3CTSKCTSLCTSB
SCHEMBL7046962 0.74 PRSS8 (0.49) CYP3A4CES1CTSKCTSLCTSB
SCHEMBL6467453 0.74 MMP2 (0.55) MMP2MMP3MMP7F2F10
SCHEMBL7137505 0.74 SMN1; SMN2 (0.41) MMP3CTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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 (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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ MMP2 91/4885MMP3 72/4885MMP7 68/4885

“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.