SCHEMBL850656

SCHEMBL850656

CCSc1ccc(B(O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.41
LIPG Q9Y5X9 7/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CXCR2 P25025 3/20 0.38
CXCR1 P25024 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MGLL Q99685 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL31276726 1.00 LPL (0.41) LPLLIPGCHRNB2CHRNA4CA2
SCHEMBL1269058 0.81 CXCR2 (0.36) LPLLIPGCA2CA1CXCR2
SCHEMBL212497 0.79 CA2 (0.38) LPLLIPGCA2CA1CXCR2
SCHEMBL29802448 0.79 CA2 (0.38) LPLLIPGCA2CA1CXCR2
Water SCHEMBL1961682 0.77 CA2 (0.37) LPLLIPGCA2CA1CXCR2
SCHEMBL850711 0.75 CHRNB2 (0.42) CHRNB2CHRNA4CXCR2PIK3CDPIK3CA
SCHEMBL29956576 0.74 NPC1 (0.38) LPLLIPGCA2CA1CXCR2
SCHEMBL12659908 0.72 NPC1 (0.50) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL2174245 0.72 CHRNB2 (0.43) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL29953238 0.72 LPL (0.52) LPLLIPGCA2CA1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 US disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
EP-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 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 (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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 LPL 420/4885LIPG 783/4885CHRNB2 2117/4885
US-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 LPL 4016/4885LIPG 3830/4885CHRNB2 4847/4885

“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.