SCHEMBL3520098

SCHEMBL3520098

CC1(C)OB(c2ccc(-c3ccc(CNC(=O)O)cc3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
LIPG Q9Y5X9 12/20 0.55
LPL P06858 11/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
F11 P03951 2/20 0.47
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2572162 0.96 CA1 (0.60) CA1CA2CA9LIPGLPL
SCHEMBL1284019 0.84 CA1 (0.60) CA1CA2CA9LIPGLPL
SCHEMBL1684672 0.81 CA1 (0.61) CA1CA2CA9LIPGLPL
SCHEMBL16881568 0.81 CA1 (0.57) CA1CA2CA9LIPGLPL
SCHEMBL30693702 0.81 CA1 (0.70) CA1CA2CA9LIPGLPL
SCHEMBL5675802 0.80 NPC1 (0.62) CA1CA2CA9LIPGLPL
SCHEMBL21197913 0.79 CA1 (0.55) CA1CA2CA9LIPGLPL
SCHEMBL9888401 0.79 LIPG (0.58) CA1CA2CA9LIPGLPL
SCHEMBL12523750 0.79 LIPG (0.53) CA1CA2CA9LIPGLPL
SCHEMBL15252314 0.79 CA1 (0.55) CA1CA2CA9LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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 (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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL CA1 4836/4885CA2 4667/4885CA9 4296/4885

“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.