SCHEMBL13624326

SCHEMBL13624326

CC[C@@H](CNc1ccc(OC)cc1OC)NC(=O)[C@H](Cc1ccccc1)N[C@@H](c1cccs1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40
CTSK P43235 1/20 0.38
CAPN1 P07384 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL13624321 0.90 CTSL (0.57) CTSLTAS1R3TAS1R1ALDH1A1ALOX15
SCHEMBL13624328 0.82 CTSL (0.58) CTSLALDH1A1ALOX15CTSKMEN1
SCHEMBL13624172 0.81 TAS1R3 (0.47) CTSLTAS1R3TAS1R1CTSKMEN1
SCHEMBL13624323 0.80 TAS1R3 (0.46) CTSLTAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL13624358 0.77 CTSL (0.52) CTSLTAS1R3TAS1R1CTSKMEN1
SCHEMBL13624324 0.76 TAS1R3 (0.47) CTSLTAS1R3TAS1R1MAPTTDP1
SCHEMBL4367302 0.76 TAS1R3 (0.45) CTSLTAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL13624329 0.75 CTSL (0.52) CTSLCTSKMEN1KMT2A
SCHEMBL4369729 0.75 CTSL (0.48) CTSLTAS1R3TAS1R1CTSKMEN1
SCHEMBL13624425 0.74 CTSL (0.41) CTSLTAS1R3TAS1R1ALDH1A1CTSK

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
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 CTSL 24/4885TAS1R3 3970/4885TAS1R1 3363/4885

“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.