SCHEMBL5459993

SCHEMBL5459993

CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSC P53634 13/20 1.00
CTSK P43235 3/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CTSH P09668 1/20 0.73
CYP2D6 P10635 1/20 0.73
CTSL P07711 4/20 0.43
CTSS P25774 2/20 0.42
CTSB P07858 1/20 0.42
ACACB O00763 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DPP4 P27487 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL5459408 0.86 CTSC (1.00) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL2885834 0.85 CTSC (1.00) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL2885839 0.85 CTSC (1.00) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL20397731 0.79 CTSC (0.64) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL20397730 0.79 CTSC (0.64) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL8327832 0.76 CTSC (1.00) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL5689164 0.76 CTSC (0.77) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL5407939 0.74 CTSC (0.59) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL2184166 0.74 CTSC (0.59) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL6805537 0.74 CTSC (0.59) CTSCCTSKCYP1A2CYP3A4CTSH

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US claimed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP claimed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO claimed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US disclosed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US disclosed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US disclosed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP disclosed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO disclosed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO 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-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 CTSC 1/4885CTSK 5/4885CYP1A2 2427/4885

“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.