SCHEMBL4698809

SCHEMBL4698809

CC(C)C[C@H](Nc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.68
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP3 P08254 1/20 0.56
MMP7 P09237 1/20 0.56
MMP9 P14780 1/20 0.56
MMP13 P45452 1/20 0.56
CTSK P43235 3/20 0.50
NTSR1 P30989 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL11200751 0.85 ALDH1A1 (0.51) FPR2ALDH1A1LMNA
SCHEMBL11200746 0.85 ALDH1A1 (0.51) FPR2ALDH1A1LMNA
SCHEMBL3448513 0.84 MAPK1 (0.56) FPR2ALDH1A1
SCHEMBL3448516 0.84 MAPK1 (0.56) FPR2ALDH1A1
SCHEMBL11198311 0.83 ALDH1A1 (0.57) FPR2ALDH1A1LMNA
SCHEMBL11198315 0.83 ALDH1A1 (0.57) FPR2ALDH1A1LMNA
SCHEMBL20484121 0.81 FPR2 (1.00) FPR2ALDH1A1LMNA
SCHEMBL14889800 0.81 FPR2 (1.00) FPR2ALDH1A1LMNA
SCHEMBL14903135 0.81 FPR2 (1.00) FPR2ALDH1A1LMNA
SCHEMBL4704292 0.81 CTSK (0.73) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ FPR2 2914/4885MMP1 243/4885MMP2 151/4885

“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.