SCHEMBL6771001

SCHEMBL6771001

CC(C)CCc1ccc(B(O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.61
LIPG Q9Y5X9 7/20 0.61
CA2 P00918 4/20 0.57
CA1 P00915 3/20 0.57
TRPV1 Q8NER1 2/20 0.53
MGLL Q99685 1/20 0.53
F11 P03951 1/20 0.47
ENPP2 Q13822 3/20 0.39
CSK P41240 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL3291459 0.88 CA2 (0.63) LPLLIPGCA2CA1TRPV1
SCHEMBL8080450 0.82 HTT (0.41) TSHR
SCHEMBL890400 0.79 LPL (0.73) LPLLIPGCA2CA1TRPV1
SCHEMBL257753 0.78 LPL (0.58) LPLLIPGCA2CA1TRPV1
SCHEMBL21125600 0.77 LPL (0.60) LPLLIPGMGLLENPP2
SCHEMBL2741643 0.76 CHKA (0.41) CA2CA1TSHR
SCHEMBL257735 0.76 LPL (1.00) LPLLIPGCA2CA1TRPV1
SCHEMBL104626 0.76 ESR1 (0.59) CA2CA1TSHR
SCHEMBL29955255 0.75 LPL (0.48) LPLLIPGCA2CA1TRPV1
SCHEMBL4737133 0.75 LPL (0.55) LPLLIPGCA2CA1TRPV1

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
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 US disclosed
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 US disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 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-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS DCTPP1, ENPP1, PPA1 LPL 2499/4885LIPG 3346/4885CA2 1255/4885

“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.