SCHEMBL20480628

SCHEMBL20480628

COc1ccc(C2CCC2)c2c1C(C(=O)O)CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR2A P28223 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR1A P08908 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
ABCB1 P08183 1/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20480682 0.89 KDM4E (0.38) PTGDR2MEN1KMT2ANPSR1KDM4E
SCHEMBL20480552 0.89 HTR2A (0.35) PTGDR2MEN1KMT2ANPSR1HTR2A
SCHEMBL20480662 0.87 KDM4E (0.40) MEN1KMT2AMAPK1KDM4EGAA
SCHEMBL20480189 0.83 KDM4E (0.43) MEN1KMT2ANPSR1MAPK1KDM4E
SCHEMBL20480421 0.81 PTGDR2 (0.35) PTGDR2MEN1KMT2ANPSR1MAPK1
SCHEMBL20480596 0.80 ALDH1A1 (0.37) PTGDR2HTR2AMAPK1KDM4ELMNA
SCHEMBL20480306 0.80 HTR2A (0.38) MEN1KMT2ANPSR1HTR2AKDM4E
SCHEMBL20480549 0.80 CYP1A2 (0.44) MEN1KMT2ANPSR1HTR2AKDM4E
SCHEMBL20480472 0.79 KDM4E (0.41) PTGDR2MEN1KMT2ANPSR1KDM4E
SCHEMBL20478615 0.77 PTGDR2 (0.40) PTGDR2MEN1KMT2APDE4APDE4B

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 PTGDR2 1154/4885MEN1 4547/4885KMT2A 4622/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G PTGDR2 1154/4885MEN1 4547/4885KMT2A 4622/4885

“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.