SCHEMBL3928046

SCHEMBL3928046

O=S(=O)(Oc1cccc2occc12)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
DRD2 P14416 12/20 0.37
DRD3 P35462 9/20 0.37
HTR1D P28221 2/20 0.37
DRD4 P21917 7/20 0.36
HTR5A P47898 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
FTO Q9C0B1 1/20 0.36
DRD1 P21728 5/20 0.35
DRD5 P21918 5/20 0.35

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
SCHEMBL203899 0.79 MEN1 (0.42) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL29706003 0.79 MEN1 (0.42) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL72717 0.79 MAOB (0.38) DRD2DRD3DRD4MAOBMAOA
SCHEMBL8464810 0.79 CYP2A6 (0.56) KCNA3DRD2DRD3DRD4HTR5A
Hydrogen Sulfide SCHEMBL6881209 0.78 CYP2A6 (0.55) KCNA3DRD2DRD3DRD4HTR5A
SCHEMBL2122378 0.75 PDE4A (0.35) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL27776122 0.75 ALDH1A1 (0.57) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL18585504 0.75 XDH (0.41) MAOBMAOA
SCHEMBL21437572 0.75 EPAS1 (0.33) KCNA3HTR1DMAOBMAOA
SCHEMBL24628085 0.74 MAOA (0.38) DRD2DRD3HTR1DDRD4HTR5A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed
EP-4148053-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2023-03-15 EP disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
US-20190071417-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2019-03-07 US disclosed
WO-2015089842-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OSTEOPOROSIS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095261-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 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 (7 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-10981891-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 KCNA3 3971/4885DRD2 4243/4885DRD3 3040/4885
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CFTR, SQOR, NQO1 KCNA3 3971/4885DRD2 4243/4885DRD3 3040/4885
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KCNA3 1904/4885DRD2 2201/4885DRD3 1473/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KCNA3 1952/4885DRD2 2279/4885DRD3 1499/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KCNA3 1990/4885DRD2 1396/4885DRD3 672/4885
US-10508097-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 KCNA3 3971/4885DRD2 4243/4885DRD3 3040/4885
US-20190071417-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CFTR, SQOR, NQO1 KCNA3 3971/4885DRD2 4243/4885DRD3 3040/4885

“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.