SCHEMBL3196835

SCHEMBL3196835

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nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CYP2D6 P10635 1/20 0.40
CTSS P25774 4/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL12378789 1.00 CTSK (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL23989898 0.86 CTSK (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL2519108 0.86 CTSK (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL1219074 0.84 CA1 (0.51) CTSKCA1CA2CA7CYP2D6
SCHEMBL1991719 0.84 CA1 (0.51) CTSKCA1CA2CA7CYP2D6
SCHEMBL498987 0.84 CA1 (0.51) CTSKCA1CA2CA7CYP2D6
SCHEMBL14632348 0.82 CTSK (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL30718516 0.82 CTSK (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL8893172 0.82 CTSK (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL22525961 0.80 CTSK (0.41) CTSKCA1CA2CA7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP claimed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US claimed
US-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP disclosed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT CTSK 1612/4885CA1 2842/4885CA2 1271/4885
US-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 CTSK 2052/4885CA1 723/4885CA2 960/4885

“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.