SCHEMBL4028655

SCHEMBL4028655

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.50
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
PLOD2 O00469 1/20 0.39
CA1 P00915 1/20 0.39

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
Bromomethane SCHEMBL4025129 0.94 KCNN4 (0.45) KCNN4CES2CES1BCL2L1BAD
SCHEMBL162450 0.81 KCNN4 (0.50) KCNN4CES2CES1BCL2L1BAD
SCHEMBL522914 0.80 CYP1A2 (0.52) KCNN4CES2CES1RAB9AMEN1
SCHEMBL29211165 0.78 KCNN4 (0.64) KCNN4CES2CES1BCL2L1BAD
SCHEMBL13241625 0.78 CA1 (0.52) KCNN4CES2CES1BCL2L1BAD
Bromide SCHEMBL27743797 0.78 CYP1A2 (0.50) KCNN4CES2CES1RAB9AMEN1
SCHEMBL19182935 0.77 MEN1 (0.47) KCNN4CES2CES1BCL2L1BAD
SCHEMBL31560794 0.77 KCNN4 (0.47) KCNN4CES2CES1BCL2L1BAD
SCHEMBL71942 0.76 CYP2C9 (0.59) KCNN4CES2CES1BCL2L1BAD
SCHEMBL30031482 0.76 KCNN4 (0.45) KCNN4CES2CES1BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569581-B2 Anticholinergics which may be used as medicaments as well as processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
US-20050197357-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-09-08 US disclosed
US-20040087617-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-6706726-B2 QUATERNIZED DIARYLACETOXY-SUBSTITUTED NORTROPANE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-16 US disclosed
US-20020115680-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 US 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 (3 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-20020115680-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them CHRM2, CHRM1, CHRM5 KCNN4 1089/4885CES2 346/4885CES1 240/4885
US-20050197357-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them CHRM1, CHRM2, CHRM3 KCNN4 636/4885CES2 306/4885CES1 168/4885
US-20040087617-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them CHRM1, CHRM2, CHRM5 KCNN4 925/4885CES2 504/4885CES1 180/4885

“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.