SCHEMBL2547086

SCHEMBL2547086

Cc1cc(F)ccc1-n1c(C[C@H](C)OCc2ccccc2)cc(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.48
AVPR2 P30518 3/20 0.39
OXTR P30559 2/20 0.39
AVPR1A P37288 2/20 0.39
MAPT P10636 5/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GBA1 P04062 1/20 0.34
CYP19A1 P11511 1/20 0.34
EGFR P00533 2/20 0.34
PTGER1 P34995 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2359769 0.93 NR3C2 (0.46) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL16457142 0.92 NR3C2 (0.54) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL16457242 0.91 NR3C2 (0.48) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL16456946 0.89 NR3C2 (0.56) NR3C2AVPR2MAPTLMNARECQL
SCHEMBL16457250 0.88 NR3C2 (0.44) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL12266043 0.88 NR3C2 (0.48) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL16456899 0.86 NR3C2 (0.46) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL2359339 0.86 NR3C2 (0.62) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL16456865 0.86 NR3C2 (0.59) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL16456970 0.86 NR3C2 (0.52) NR3C2AVPR2OXTRAVPR1AMAPT

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 5 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

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 3/4885AVPR2 22/4885OXTR 2191/4885

“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.