SCHEMBL7046217

SCHEMBL7046217

CC(C)CCN(C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2cc(C(C)(C)C)ccc2o1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PTPRB P23467 2/20 0.38
PTPN11 Q06124 1/20 0.38
MAPK1 P28482 1/20 0.37
STS P08842 1/20 0.37
GPR119 Q8TDV5 2/20 0.35
USP30 Q70CQ3 1/20 0.35
KMT2A Q03164 7/20 0.35
MEN1 O00255 5/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL7046421 0.92 USP30 (0.39) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7049593 0.90 CTSL (0.44) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7046969 0.87 PTPRB (0.39) PTPRBPTPN11MAPK1STSGPR119
SCHEMBL7044976 0.86 PTPRB (0.38) PTPRBPTPN11MAPK1STSGPR119
SCHEMBL7049419 0.81 CTSL (0.47) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7048358 0.76 SMN1; SMN2 (0.38) MAPTSMN1; SMN2
SCHEMBL6467029 0.75 LMNA (0.38) CTSLCTSBCTSSKMT2AMEN1
SCHEMBL7183810 0.74 CTSL (0.42) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7049413 0.74 CTSL (0.41) CTSLCTSBCTSSCTSKPTPRB
SCHEMBL7046155 0.74 USP30 (0.41) CTSLCTSBCTSSCTSKPTPRB

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 CTSL 18/4885CTSB 11/4885CTSS 9/4885

“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.