SCHEMBL11945522

SCHEMBL11945522

O=S(=O)(Oc1ccnc(O)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ HTR1D P28221 5/20 0.36
▸ HTR1A P08908 4/20 0.36
▸ HTR1B P28222 4/20 0.36
▸ CXCR2 P25025 2/20 0.35
▸ CXCR1 P25024 1/20 0.35
▸ PDE4A P27815 3/20 0.34
▸ PDE4C Q08493 3/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ DRD4 P21917 1/20 0.32

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
SCHEMBL17310149 0.79 CA1 (0.40) CA1CA2HSD11B1HTR1DHTR1A
SCHEMBL15720571 0.79 LOXL2 (0.42) CA1CA2HSD11B1HTR1DHTR1A
SCHEMBL23674532 0.77 CA1 (0.39) CA1CA2HSD11B1HTR1DHTR1A
SCHEMBL28741615 0.76 RIPK2 (0.41) CA1CA2HSD11B1HTR1DHTR1A
SCHEMBL28741515 0.76 HTR1D (0.40) CA1CA2HSD11B1HTR1DHTR1A
SCHEMBL6481315 0.75 PDE4A (0.39) CA1CA2HSD11B1ESR2HTR1D
SCHEMBL30384914 0.74 PDE4A (0.41) CA1CA2HSD11B1HTR1DHTR1A
SCHEMBL5308131 0.74 CA2 (0.42) CA1CA2HSD11B1HTR1DHTR1A
SCHEMBL28978575 0.73 CA1 (0.36) CA1CA2HSD11B1HTR1DHTR1A
SCHEMBL5748165 0.72 CCR1 (0.44) CA1CA2PDE4APDE4CPDE4D

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-4608839-A1 SPIROCYCLE CONTAINING BICYCLIC HETEROARYL COMPOUNDS Protego Biopharma, Inc. (US) 2025-09-03 — — EP disclosed
US-20240174695-A1 Spirocycle Containing Bicyclic Heteroaryl Compounds PROTEGO BIOPHARMA, INC. 2024-05-30 — — US disclosed
WO-2024092040-A1 SPIROCYCLE CONTAINING BICYCLIC HETEROARYL COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2024-05-02 — — WO disclosed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — 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 (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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA CA1 4563/4885CA2 3206/4885HSD11B1 1714/4885
US-20240174695-A1 Spirocycle Containing Bicyclic Heteroaryl Compounds BCL6, BCL6B, BCL9 CA1 4633/4885CA2 4545/4885HSD11B1 1062/4885

“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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