SCHEMBL14345770

SCHEMBL14345770

CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NNC(=O)NNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.50
▸ TAS1R1 Q7RTX1 2/20 0.50
▸ CTSK P43235 11/20 0.46
▸ CTSB P07858 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSL P07711 2/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL7467592 0.87 TAS1R3 (0.49) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL7463738 0.79 TAS1R3 (0.45) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL14367232 0.79 CTSL (0.39) CTSKCTSBCTSSCTSLCNR2
SCHEMBL27545046 0.74 TLR7 (0.45) CTSKCTSBCTSL
SCHEMBL7609373 0.73 HSPA5 (0.49) CTSKCTSBCTSSCTSLCNR2
SCHEMBL7813672 0.73 HSPA5 (0.49) CTSKCTSBCTSSCTSLUTS2R
SCHEMBL7806106 0.73 HSPA5 (0.49) CTSKCTSBCTSSCTSLUTS2R
SCHEMBL6620163 0.72 HSPA5 (0.49) CTSKCTSBCTSSCTSL
SCHEMBL7468998 0.72 CTSK (0.65) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL7462272 0.71 CTSL (0.50) TAS1R3TAS1R1CTSKCTSBCTSS

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-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 — — 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-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating CTSS, CTSD, CTSV TAS1R3 3745/4885TAS1R1 3504/4885CTSK 13/4885

“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.

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