SCHEMBL20480355

SCHEMBL20480355

CCOC(=O)c1c(C(=O)OC)oc2c(C(F)(F)F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.42
HIF1A Q16665 1/20 0.42
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL20480309 0.94 KDM4E (0.48) KDM4EMAPTPOLBHIF1ARECQL
SCHEMBL6838077 0.76 ALOX5 (0.51) KDM4EMAPTRECQLHSD17B10CA12
SCHEMBL1998230 0.76 CA12 (0.59) KDM4EMAPTPOLBRECQLHSD17B10
SCHEMBL4012106 0.76 ALOX5 (0.51) KDM4EMAPTRECQLCA12CA1
SCHEMBL9843771 0.75 ALOX5 (0.50) KDM4EMAPTHIF1ARECQLCA12
SCHEMBL15898825 0.74 KDM4E (0.56) KDM4EMAPTRECQLHSD17B10USP2
SCHEMBL11694559 0.72 CA12 (0.51) KDM4EMAPTPOLBHSD17B10CA12
SCHEMBL22853023 0.70 CA12 (0.51) KDM4EMAPTPOLBRECQLHSD17B10
SCHEMBL30294756 0.70 CA12 (0.51) KDM4EMAPTPOLBRECQLHSD17B10
SCHEMBL8793753 0.69 KDM4E (0.57) KDM4EMAPTPOLBRECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 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-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G KDM4E 4044/4885MAPT 4880/4885POLB 4649/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G KDM4E 4044/4885MAPT 4880/4885POLB 4649/4885

“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.