SCHEMBL543636

SCHEMBL543636

O=C(OC1CCCCC1)C(F)(F)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
EPHX1 P07099 2/20 0.42
GPR35 Q9HC97 2/20 0.40
CYP2C19 P33261 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NAAA Q02083 1/20 0.37
MMP9 P14780 2/20 0.37
MMP12 P39900 2/20 0.37
MMP1 P03956 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
MMP2 P08253 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL20445673 1.00 CYP19A1 (0.46) CYP19A1EPHX1GPR35CYP2C19CA12
SCHEMBL4425518 0.83 EPHX1 (0.45) CYP19A1EPHX1GPR35CYP2C19CA12
SCHEMBL14606265 0.83 CYP19A1 (0.49) CYP19A1EPHX1CYP2C19CA12CA1
SCHEMBL27976432 0.80 CYP19A1 (0.42) CYP19A1EPHX1GPR35CYP2C19CA12
SCHEMBL20455701 0.80 KAT2B (0.36) CYP19A1
SCHEMBL23018464 0.79 CYP19A1 (0.54) CYP19A1EPHX1CYP2C19NAAASMN1; SMN2
Hydrazine SCHEMBL3862636 0.79 CYP19A1 (0.42) CYP19A1EPHX1GPR35CYP2C19CA12
SCHEMBL686208 0.79 CYP19A1 (0.50) CYP19A1EPHX1GPR35CYP2C19CA12
SCHEMBL21454934 0.79 CYP19A1 (0.54) CYP19A1EPHX1CYP2C19NAAASMN1; SMN2
SCHEMBL14422671 0.79 CYP19A1 (0.42) CYP19A1EPHX1GPR35CYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110392684-A Novel heterocyclic compounds and its purposes in prevention or treatment bacterium infection 拜欧蒂姆公司 2019-10-29 CN disclosed
WO-2018141986-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
WO-2018141991-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
WO-2018141991-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
WO-2018141986-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
EP-3357924-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2018-08-08 EP disclosed
EP-3357924-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2018-08-08 EP disclosed
CN-101687740-B Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS CO LTD 2014-07-02 CN disclosed
US-8222448-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-8110711-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-02-07 US disclosed
US-20110319652-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-01-20 US disclosed
CN-101687740-A Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS CO LTD 2010-03-31 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 (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-20110319652-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 CYP19A1 1056/4885EPHX1 659/4885GPR35 4669/4885
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 CYP19A1 1056/4885EPHX1 659/4885GPR35 4669/4885

“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.