SCHEMBL4152078

SCHEMBL4152078

C[Si](C)(C)CCOCn1nncc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.37
NPC1 O15118 1/20 0.36
DGAT1 O75907 6/20 0.32
PTGS2 P35354 1/20 0.31
F2RL1 P55085 1/20 0.31
MAPT P10636 1/20 0.31
HCAR3 P49019 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
SCHEMBL29851985 0.83 DGAT1 (0.37) DGAT1PTGS2MAPT
SCHEMBL27742436 0.79 SMN1; SMN2 (0.38) NPC1MAPT
SCHEMBL20641167 0.78 GRN (0.37) KLKB1NPC1DGAT1F2RL1
SCHEMBL30785205 0.78 KLKB1 (0.38) KLKB1NPC1DGAT1F2RL1MAPT
SCHEMBL17592980 0.77 DGAT1 (0.38) KLKB1NPC1DGAT1F2RL1
SCHEMBL2647079 0.76 DGAT1 (0.31) NPC1DGAT1PTGS2F2RL1
SCHEMBL23306274 0.75 DGAT1 (0.37) DGAT1
SCHEMBL19953625 0.75 DGAT1 (0.32) NPC1DGAT1
SCHEMBL24589275 0.75 GRN (0.35) KLKB1NPC1DGAT1
SCHEMBL2646509 0.75 DGAT1 (0.30) DGAT1

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
CN-112399873-B Triazole glycolate oxidase inhibitors 坎特罗治疗有限公司 2024-10-25 CN disclosed
CN-112399873-A Triazole glycolate oxidase inhibitor 奥凡生物科技公司 2021-02-23 CN disclosed
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
WO-2008135767-A1 NEW TRIAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-11-13 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 (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-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 KLKB1 2791/4885NPC1 2061/4885DGAT1 278/4885

“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.