SCHEMBL4758599

SCHEMBL4758599

CC1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.38
LIPG Q9Y5X9 12/20 0.38
BACE1 P56817 3/20 0.34
ROCK1 Q13464 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CNR2 P34972 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL24741504 1.00 LPL (0.38) LPLLIPGBACE1ROCK1CA1
SCHEMBL15096664 0.88 LIPG (0.42) LPLLIPGBACE1ROCK1CA1
SCHEMBL19585777 0.84 CYP1A2 (0.43) LPLLIPGBACE1ROCK1CA1
SCHEMBL17553496 0.84 OPRK1 (0.49) CA1CA2CA9
SCHEMBL31371915 0.82 DRD2 (0.47) LPLLIPG
SCHEMBL29502333 0.81 LPL (0.47) LPLLIPGBACE1ROCK1CA1
SCHEMBL16639375 0.81 LPL (0.47) LPLLIPGBACE1ROCK1CA1
SCHEMBL15854890 0.80 LIPG (0.41) LPLLIPGROCK1CA1CA2
SCHEMBL12728113 0.79 HTR1D (0.40) LPLLIPGBACE1ROCK1
SCHEMBL30284869 0.78 LPL (0.44) LPLLIPGBACE1ROCK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 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-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, RECQL, IRF3 LPL 4865/4885LIPG 4757/4885BACE1 4432/4885
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, IRF3, RECQL LPL 4856/4885LIPG 4733/4885BACE1 4211/4885

“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.