SCHEMBL17537607

SCHEMBL17537607

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCOC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.77
PDE7A Q13946 2/20 0.38
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 2/20 0.36
PTPRC P08575 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.35
AVPR2 P30518 2/20 0.35
GPR27 Q9NS67 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RORC P51449 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
SCHEMBL17493297 0.94 NR3C2 (0.72) NR3C2PDE7AHPGDELANEPTPRC
SCHEMBL18950352 0.89 NR3C2 (0.60) NR3C2PDE7AHPGDPOLBELANE
SCHEMBL1381714 0.87 NR3C2 (1.00) NR3C2PDE7APTPRCPDE4ALMNA
SCHEMBL29571805 0.87 NR3C2 (1.00) NR3C2PDE7APTPRCPDE4ALMNA
SCHEMBL27159458 0.86 NR3C2 (0.76) NR3C2PDE7APOLBELANEPTPRC
SCHEMBL1378883 0.85 NR3C2 (0.90) NR3C2PDE7APTPRCPDE4AAVPR2
SCHEMBL1380002 0.85 NR3C2 (0.88) NR3C2PDE7APTPRCPDE4AAVPR2
SCHEMBL17646149 0.84 NR3C2 (0.81) NR3C2PDE7APOLBPTPRCPDE4A
SCHEMBL8273752 0.84 NR3C2 (0.81) NR3C2PDE7APTPRCPDE4AAVPR2
SCHEMBL1378486 0.83 NR3C2 (0.79) NR3C2PDE7AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2985277-B1 METHOD FOR PREPARING AN ATROPISOMER OF A PYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-01-17 EP disclosed
US-9776961-B2 Crystal of pyrrole derivative and method for producing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-03 US disclosed
US-20170233341-A1 CRYSTAL OF PYRROLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-17 US disclosed
EP-3190102-A1 CRYSTAL OF PYRROLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME Daiichi Sankyo Company, Limited (JP) 2017-07-12 EP disclosed
US-9676713-B2 Crystal of pyrrole derivative and method for producing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9499483-B2 Crystal of pyrrole derivative and method for producing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-11-22 US disclosed
US-20160096803-A1 CRYSTAL OF PYRROLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-04-07 US disclosed
EP-2985277-A1 DIPYRROMETHENE CRYSTAL AND METHOD FOR MANUFACTURING SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-17 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-20160096803-A1 CRYSTAL OF PYRROLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME NR3C2, MC2R, CRHR1 NR3C2 1/4885PDE7A 771/4885HPGD 1010/4885
US-20170233341-A1 CRYSTAL OF PYRROLE DERIVATIVE AND METHOD FOR PRODUCING THE SAME NR3C2, MC2R, CRHR1 NR3C2 1/4885PDE7A 771/4885HPGD 1010/4885

“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.