SCHEMBL3767672

SCHEMBL3767672

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.55
CTSB P07858 11/20 0.55
CTSK P43235 11/20 0.55
CTSS P25774 6/20 0.55
CTSF Q9UBX1 4/20 0.49
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44

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
SCHEMBL2156721 1.00 CTSL (0.55) CTSLCTSBCTSKCTSSCTSF
SCHEMBL2929115 1.00 CTSL (0.55) CTSLCTSBCTSKCTSSCTSF
SCHEMBL15905685 0.92 CTSL (0.51) CTSLCTSBCTSKCTSSCTSF
SCHEMBL6092682 0.92 CTSL (0.55) CTSLCTSBCTSKCTSSCTSF
SCHEMBL14579995 0.88 CTSL (0.53) CTSLCTSBCTSKCTSSCTSF
SCHEMBL13624177 0.88 CTSL (0.53) CTSLCTSBCTSKCTSSCTSF
SCHEMBL5395043 0.87 CTSL (0.52) CTSLCTSBCTSKCTSSCTSF
SCHEMBL16377148 0.85 CTSK (0.49) CTSLCTSBCTSKCTSSCTSF
SCHEMBL17585395 0.84 CTSB (0.57) CTSLCTSBCTSKCTSSCTSF
SCHEMBL1169219 0.83 CTSL (0.72) CTSLCTSBCTSKCTSSGRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 WO claimed
EP-2225196-B1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK CANADA INC (CA) 2015-01-28 EP claimed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 WO claimed
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 US claimed
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 WO disclosed
EP-2225196-B1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK CANADA INC (CA) 2015-01-28 EP disclosed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 WO disclosed
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 1/4885CTSB 24/4885CTSK 46/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ CTSL 1/4885CTSB 35/4885CTSK 57/4885

“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.