SCHEMBL25199762

SCHEMBL25199762

Cc1cnc(B2OC(C)(C)C(C)(C)O2)s1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
USP30 Q70CQ3 1/20 0.32
LPL P06858 5/20 0.32
LIPG Q9Y5X9 5/20 0.32
P2RX7 Q99572 1/20 0.32
FFAR1 O14842 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL25919620 0.71 F11 (0.35) USP30LPLLIPG
SCHEMBL2147093 0.70 DGAT1 (0.45) LPLLIPGIRAK4
SCHEMBL12715453 0.69 USP30 (0.43) USP30LPLLIPGP2RX7FFAR1
SCHEMBL2220822 0.68 LIPG (0.42) LPLLIPGIRAK4
SCHEMBL4674549 0.67 LPL (0.38) NOS1LPLLIPGP2RX7MAPK1
SCHEMBL31630516 0.67 NOS1 (0.35) NOS1
SCHEMBL1284338 0.65 LPL (0.42) LPLLIPGFFAR1IRAK4
SCHEMBL2379522 0.65 USP30 (0.43) USP30LPLLIPGP2RX7FFAR1
SCHEMBL2679491 0.65 SNCA (0.39) LPLLIPGFFAR1IRAK4
SCHEMBL5062546 0.64 LPL (0.41) LPLLIPGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 NOS1 847/4885USP30 4320/4885LPL 3942/4885

“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.