SCHEMBL3785283

SCHEMBL3785283

CCc1cccc(B(O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 4/20 0.48
LIPG Q9Y5X9 2/20 0.46
NLRP3 Q96P20 2/20 0.38
LPL P06858 1/20 0.35
ENPP2 Q13822 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
DAO P14920 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
SCHEMBL5840438 0.83 PDCD1 (0.52) GABRA1GABRB2LIPGENPP2PDCD1
SCHEMBL12707641 0.80 LIPG (0.37) GABRA1GABRB2LIPGLPL
SCHEMBL29468961 0.79 LIPG (0.61) GABRA1GABRB2LIPGLPLENPP2
SCHEMBL410387 0.79 LIPG (0.61) GABRA1GABRB2LIPGLPLENPP2
SCHEMBL1762931 0.78 GABRA1 (0.48) GABRA1GABRB2LIPGLPLENPP2
SCHEMBL599099 0.78 GABRA1 (0.57) GABRA1GABRB2NLRP3PDCD1CD274
SCHEMBL16576671 0.78 LIPG (0.38) GABRA1GABRB2LIPGENPP2PDCD1
SCHEMBL15536431 0.77 GABRA1 (0.46) GABRA1GABRB2LIPGLPLDAO
SCHEMBL3793136 0.77 GABRA1 (0.46) GABRA1GABRB2LIPGLPLENPP2
Ammonia Solution, Strong SCHEMBL9357829 0.76 GABRA1 (0.55) GABRA1GABRB2NLRP3PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018166-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. 2024-01-18 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 GABRA1 991/4885GABRB2 561/4885LIPG 3010/4885
US-20240018166-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS NLRP3, PYCARD, NOD1 GABRA1 3475/4885GABRB2 2168/4885LIPG 1562/4885

“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.