SCHEMBL2356953

SCHEMBL2356953

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CCOCc2ccccc2)n1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.62
TRPV4 Q9HBA0 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AVPR2 P30518 2/20 0.36
GPR27 Q9NS67 2/20 0.36
PTGS2 P35354 2/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2359546 0.92 NR3C2 (0.61) NR3C2TRPV4LMNAALDH1A1HTT
SCHEMBL2359492 0.92 NR3C2 (0.75) NR3C2TRPV4LMNAALDH1A1HTT
SCHEMBL16458357 0.90 NR3C2 (0.61) NR3C2TRPV4LMNAALDH1A1HTT
SCHEMBL16457201 0.89 NR3C2 (0.58) NR3C2LMNAALDH1A1HTTAVPR2
SCHEMBL12265641 0.88 NR3C2 (0.64) NR3C2PTGS2
SCHEMBL16456984 0.87 NR3C2 (0.65) NR3C2TRPV4LMNAALDH1A1HTT
SCHEMBL2359038 0.85 NR3C2 (0.82) NR3C2TRPV4AVPR2GPR27PTGS2
SCHEMBL16458359 0.85 NR3C2 (0.64) NR3C2LMNAALDH1A1HTTAVPR2
SCHEMBL16458360 0.85 NR3C2 (0.68) NR3C2TRPV4LMNAALDH1A1HTT
SCHEMBL27997510 0.85 NR3C2 (0.51) NR3C2TRPV4LMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
EP-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
EP-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 EP disclosed
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 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 (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-20110263544-A1 1-Phenylpyrrole Derivatives REN, AGTR1, NR3C2 NR3C2 3/4885TRPV4 1768/4885LMNA 2828/4885

“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.