SCHEMBL31731069

SCHEMBL31731069

CC1(C)OB(c2ccc3cnc(O)n3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
LPL P06858 12/20 0.38
LIPG Q9Y5X9 12/20 0.38
DGAT1 O75907 2/20 0.36
F11 P03951 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL31731068 0.84 LPL (0.42) FFAR1LPLLIPGDGAT1CA1
SCHEMBL31730936 0.80 LPL (0.40) FFAR1LPLLIPGDGAT1CA1
SCHEMBL17440882 0.74 IRAK4 (0.45) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL18041611 0.73 LPL (0.44) FFAR1LPLLIPGDGAT1F11
SCHEMBL20600818 0.72 LPL (0.39) FFAR1LPLLIPGDGAT1CA1
SCHEMBL17441312 0.70 GABRA1 (0.40) FFAR1LPLLIPGDGAT1IRAK4
SCHEMBL24366626 0.70 LPL (0.40) FFAR1LPLLIPGDGAT1F11
SCHEMBL18041526 0.70 TGFBR1 (0.42) FFAR1LPLLIPGDGAT1F11
SCHEMBL506215 0.69 DGAT1 (0.47) FFAR1LPLLIPGDGAT1F11
SCHEMBL17492388 0.69 LPL (0.46) FFAR1LPLLIPGF11CA1

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-20250352549-A1 SUBSTITUTED HETEROCYCLIC COMPOUND DERIVATIVES AND THEIR PHARMACEUTICAL USE AVELOS THERAPEUTICS INC. (KR) 2025-11-20 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-20250352549-A1 SUBSTITUTED HETEROCYCLIC COMPOUND DERIVATIVES AND THEIR PHARMACEUTICAL USE MAST1, MAST3, MAST4 FFAR1 4149/4885LPL 4098/4885LIPG 1828/4885

“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.