SCHEMBL2590735

SCHEMBL2590735

O=C(NCC(F)(F)F)c1ccc(B(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.50
▸ MGLL Q99685 1/20 0.46
▸ ACACB O00763 1/20 0.44
▸ NAMPT P43490 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ ULK1 O75385 1/20 0.41
▸ MLYCD O95822 2/20 0.41
▸ CA2 P00918 1/20 0.40

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
SCHEMBL22040078 0.83 TRPV1 (0.54) TRPV1NAMPTMLYCD
SCHEMBL16738817 0.81 TRPV1 (0.53) TRPV1NAMPTMAPK14
SCHEMBL23116863 0.80 GFER (0.53) ACACBNAMPTMAPK14ULK1MLYCD
SCHEMBL12188582 0.80 EPHX2 (0.50) ACACBNAMPTMAPK14MLYCDCA2
SCHEMBL4187911 0.80 CES2 (0.55) TRPV1MAPK14MLYCD
SCHEMBL25231901 0.80 TRPV1 (0.57) TRPV1
SCHEMBL1147585 0.79 NAMPT (0.46) ACACBNAMPTMAPK14ULK1MLYCD
SCHEMBL21198695 0.79 OGG1 (0.55) ACACBCA2
SCHEMBL3895572 0.79 SMN1; SMN2 (0.58) —
SCHEMBL15427269 0.79 TRPV1 (0.51) TRPV1ACACBNAMPTMAPK14ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 — — WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2563125-A1 AZAINDOLES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-06 — — EP disclosed
US-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS CASH BRANDON (US) 2013-02-14 — — US disclosed
WO-2011137022-A1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-03 — — 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-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 TRPV1 4121/4885MGLL 4530/4885ACACB 3115/4885

“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.

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