SCHEMBL4367873

SCHEMBL4367873

C=CCOC(=O)C(C)(C)Oc1ccc(NC[C@H](CC)NC(=O)[C@H](CC(C)(C)F)N[C@@H](Cc2ccccc2)C(F)(F)F)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CTSK P43235 2/20 0.33
CTSL P07711 7/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
CTSB P07858 4/20 0.32
CTSF Q9UBX1 4/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTSS P25774 1/20 0.31
CTRB1 P17538 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL4370341 0.90 CTSL (0.37) TAS1R3TAS1R1CTSKCTSLCTSB
SCHEMBL4364936 0.90 TAS1R3 (0.38) MAPTTDP1TAS1R3TAS1R1CTSK
SCHEMBL4364927 0.90 TAS1R3 (0.38) MAPTTDP1TAS1R3TAS1R1CTSK
SCHEMBL4367734 0.79 CTSL (0.41) TAS1R3TAS1R1CTSKCTSLALDH1A1
SCHEMBL4367724 0.79 CTSL (0.41) TAS1R3TAS1R1CTSKCTSLALDH1A1
SCHEMBL13624390 0.76 CTSL (0.39) TAS1R3TAS1R1CTSKCTSLALDH1A1
SCHEMBL13624172 0.76 TAS1R3 (0.47) TAS1R3TAS1R1CTSKCTSLCTSB
SCHEMBL13624425 0.76 CTSL (0.41) TAS1R3TAS1R1CTSKCTSLALDH1A1
SCHEMBL13624409 0.74 CTSK (0.42) TAS1R3TAS1R1CTSKCTSL
SCHEMBL13624321 0.74 CTSL (0.57) MAPTTDP1TAS1R3TAS1R1CTSK

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MAPT 480/4885TDP1 1784/4885TAS1R3 3970/4885

“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.