SCHEMBL2542480

SCHEMBL2542480

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn([C@H](C)[C@H](C)O)c1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 1.00
ELANE P08246 1/20 0.38
TRPV4 Q9HBA0 2/20 0.38
AVPR2 P30518 3/20 0.37
GPR27 Q9NS67 3/20 0.37
PTPRC P08575 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.35
ESRRG P62508 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL2358597 1.00 NR3C2 (1.00) NR3C2ELANETRPV4AVPR2GPR27
SCHEMBL2543239 0.91 NR3C2 (0.83) NR3C2ELANETRPV4AVPR2GPR27
SCHEMBL2359639 0.91 NR3C2 (0.83) NR3C2ELANETRPV4AVPR2GPR27
SCHEMBL2540736 0.89 NR3C2 (0.79) NR3C2ELANETRPV4AVPR2GPR27
SCHEMBL2357954 0.89 NR3C2 (0.79) NR3C2ELANETRPV4AVPR2GPR27
SCHEMBL2541534 0.88 NR3C2 (0.78) NR3C2AVPR2GPR27GAAMAPT
SCHEMBL2357925 0.88 NR3C2 (0.78) NR3C2AVPR2GPR27GAAMAPT
SCHEMBL1381352 0.86 NR3C2 (0.76) NR3C2AVPR2GPR27
SCHEMBL13423545 0.79 NR3C2 (0.65) NR3C2TRPV4AVPR2GPR27PTPRC
SCHEMBL1383203 0.78 NR3C2 (0.64) NR3C2TRPV4AVPR2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349997-B1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS INC (US) 2015-08-12 EP claimed
US-8487117-B2 Atropisomers of (hydroxyalkyl) pyrrole derivatives EXELIXIS, INC. (US) 2013-07-16 US claimed
US-20110263673-A1 Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US claimed
EP-2349997-B1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS INC (US) 2015-08-12 EP disclosed
EP-2349997-B1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS INC (US) 2015-08-12 EP disclosed
US-8487117-B2 Atropisomers of (hydroxyalkyl) pyrrole derivatives EXELIXIS, INC. (US) 2013-07-16 US disclosed
US-8487117-B2 Atropisomers of (hydroxyalkyl) pyrrole derivatives EXELIXIS, INC. (US) 2013-07-16 US disclosed
US-8487117-B2 Atropisomers of (hydroxyalkyl) pyrrole derivatives EXELIXIS, INC. (US) 2013-07-16 US disclosed
US-20110263673-A1 Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
US-20110263673-A1 Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
US-20110263673-A1 Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 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 (1 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-20110263673-A1 Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives ADRB3, HSD11B1, AKR1C3 NR3C2 62/4885ELANE 4257/4885TRPV4 3145/4885

“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.