SCHEMBL7047962

SCHEMBL7047962

COc1ccc2nc(C(=O)[C@H](CCc3ccccc3)NC(=O)CCC3CCCCC3)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
PRSS8 Q16651 2/20 0.41
CMA1 P23946 2/20 0.41
MEN1 O00255 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL7049425 0.94 CTSL (0.49) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL7043331 0.90 CMA1 (0.46) CTSLCTSBCTSSCTSKMAPT
SCHEMBL6465141 0.88 CTSS (0.48) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL6468629 0.88 CTSS (0.48) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL6463419 0.88 CTSS (0.48) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL6464300 0.88 CTSS (0.44) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL6464884 0.87 CTSS (0.49) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL7045308 0.83 CTSS (0.49) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL7047970 0.82 KMT2A (0.43) KMT2ACTSSMAPTALDH1A1NPC1
SCHEMBL7049339 0.81 CTSS (0.53) KMT2ACTSLCTSBCTSSCTSK

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 KMT2A 3705/4885CTSL 18/4885CTSB 11/4885

“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.