SCHEMBL6463671

SCHEMBL6463671

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)NCc2cccc3ccccc23)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
CTSL P07711 9/20 0.47
CTSB P07858 6/20 0.45
CTSK P43235 5/20 0.45
CTSS P25774 2/20 0.45
ANPEP P15144 1/20 0.45
PSMB1 P20618 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44

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
SCHEMBL6463220 0.93 CTSL (0.51) CTSLCTSBCTSKCTSSPSMB1
SCHEMBL6064394 0.89 CA5A (0.53) CTSLCTSBCTSKCTSSMMP1
SCHEMBL6061873 0.89 CA5A (0.53) CTSLCTSBCTSKCTSSMMP1
SCHEMBL6464217 0.88 CTSL (0.54) CTSLCTSBCTSKCTSSMMP1
SCHEMBL6063167 0.87 CTSL (0.51) CTSLCTSBCTSKCTSSMMP3
SCHEMBL6062922 0.87 CTSL (0.53) CTSLCTSBCTSKCTSSMMP1
SCHEMBL6061869 0.86 CTSL (0.51) CTSLCTSBCTSKCTSSMMP1
SCHEMBL6061866 0.86 CTSL (0.51) CTSLCTSBCTSKCTSSMMP1
SCHEMBL6062866 0.86 MMP3 (0.55) CTSLCTSBCTSKMMP1MMP3
SCHEMBL7048648 0.86 CTSL (0.51) CTSLCTSBCTSKCTSSMMP1

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
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 REN 201/4885PRSS1 5/4885PRSS2 31/4885

“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.