SCHEMBL5537733

SCHEMBL5537733

O=COCc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
ERN1 O75460 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
IDO1 P14902 2/20 0.33
GAA P10253 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALKBH1 Q13686 1/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5536687 0.78 MMP1 (0.37) MMP1MMP2MMP9MMP12ERN1
SCHEMBL323427 0.78 FFAR4 (0.43) MMP1MMP2MMP9MMP12ERN1
SCHEMBL98043 0.77 IDO1 (0.55) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL27860859 0.75 TSHR (0.43) KMT2ATAAR1IDO1ALDH1A1SMN1; SMN2
SCHEMBL2088680 0.74 SLC22A12 (0.38) TAAR1ALDH1A1TDP1
SCHEMBL331883 0.74 SMN1; SMN2 (0.44) KMT2AMEN1TAAR1KDM4EHTT
SCHEMBL9364939 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2777684 0.74 MMP1 (0.42) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL28069154 0.72 SRC (0.31)
SCHEMBL2093193 0.72 CA12 (0.33) MMP1MMP2MMP9MMP12

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
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 WO disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MMP1 4662/4885MMP2 4704/4885MMP9 4787/4885
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 MMP1 3525/4885MMP2 3003/4885MMP9 2525/4885

“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.