SCHEMBL5520697

SCHEMBL5520697

CSc1ccc(B(O)O)cc1.[N]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
LPL P06858 3/20 0.50
LIPG Q9Y5X9 3/20 0.50
ENPP2 Q13822 6/20 0.46
CA1 P00915 4/20 0.44
TSHR P16473 1/20 0.44
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MGLL Q99685 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL184212 0.97 CA2 (0.52) CA2LPLLIPGENPP2CA1
SCHEMBL6606099 0.91 CA2 (0.54) CA2LPLLIPGENPP2CA1
SCHEMBL29958022 0.81 CA2 (0.46) CA2LPLLIPGENPP2CA1
SCHEMBL26085707 0.80 NOS3 (0.40) NOS3NOS1ALDH1A1
SCHEMBL15180203 0.78 CA2 (0.48) CA2LPLLIPGENPP2CA1
SCHEMBL13309433 0.76 ENPP2 (0.52) CA2LPLLIPGENPP2CA1
SCHEMBL18244808 0.76 ALDH1A1 (0.44) NOS3NOS1ALDH1A1
SCHEMBL204921 0.74 ENPP2 (0.73) CA2LPLLIPGENPP2CA1
SCHEMBL83839 0.74 ALDH1A1 (0.58) NOS3NOS1ALDH1A1
SCHEMBL31416514 0.72 MGLL (0.63) CA2LPLLIPGENPP2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK CA2 718/4885LPL 428/4885LIPG 612/4885

“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.