SCHEMBL3769857

SCHEMBL3769857

CC(C)C[C@H](N[C@H](C#N)Cc1ccc(I)cc1)C(=O)N[C@@H](c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.62
CTSK P43235 8/20 0.58
CTSS P25774 5/20 0.58
CTSB P07858 4/20 0.58
CTSF Q9UBX1 2/20 0.55

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
SCHEMBL3769856 0.94 CTSL (0.71) CTSLCTSKCTSSCTSBCTSF
SCHEMBL12999157 0.84 CTSL (0.71) CTSLCTSKCTSSCTSBCTSF
SCHEMBL8048306 0.82 CTSL (0.80) CTSLCTSKCTSSCTSBCTSF
SCHEMBL15258029 0.82 CTSL (0.80) CTSLCTSKCTSSCTSBCTSF
SCHEMBL2155014 0.77 CTSK (0.71) CTSLCTSKCTSSCTSB
SCHEMBL13669484 0.75 CTSL (0.85) CTSLCTSKCTSSCTSBCTSF
SCHEMBL2157033 0.74 CTSL (1.00) CTSLCTSKCTSSCTSB
SCHEMBL2156319 0.74 CTSL (1.00) CTSLCTSKCTSSCTSB
SCHEMBL2155011 0.74 CTSL (1.00) CTSLCTSKCTSSCTSB
SCHEMBL3762214 0.72 CTSL (0.74) CTSLCTSKCTSSCTSBCTSF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642799-B2 Cysteine protease inhibitors for the treatment of parasitic diseases MERCK CANADA INC. (CA) 2014-02-04 US disclosed
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2013-09-19 US disclosed
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 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 (2 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-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE CTSL, SERPINB1, CTSZ CTSL 1/4885CTSK 46/4885CTSS 5/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ CTSL 1/4885CTSK 57/4885CTSS 5/4885

“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.