SCHEMBL2359339

SCHEMBL2359339

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.62
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
OXTR P30559 1/20 0.36
GRM1 Q13255 2/20 0.36
GRM4 Q14833 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ENPP2 Q13822 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL2359528 0.94 NR3C2 (0.63) NR3C2NPY1RNPY2RAVPR2AVPR1A
SCHEMBL2357327 0.92 NR3C2 (0.60) NR3C2GRM4SMN1; SMN2KDM4EMEN1
SCHEMBL2550462 0.90 NR3C2 (0.69) NR3C2NPY1RNPY2RSMN1; SMN2LMNA
SCHEMBL2358996 0.90 NR3C2 (0.62) NR3C2AVPR2AVPR1AOXTRGRM1
SCHEMBL2544782 0.89 NR3C2 (0.64) NR3C2NPY1RNPY2RSMN1; SMN2LMNA
SCHEMBL2358002 0.88 NR3C2 (0.62) NR3C2NPY1RNPY2RAVPR2AVPR1A
SCHEMBL12266043 0.87 NR3C2 (0.48) NR3C2AVPR2AVPR1AOXTRSMN1; SMN2
SCHEMBL2358752 0.87 NR3C2 (0.74) NR3C2AVPR2
SCHEMBL2360202 0.86 NR3C2 (0.58) NR3C2NPY1RNPY2RAVPR2AVPR1A
SCHEMBL2547086 0.86 NR3C2 (0.48) NR3C2AVPR2AVPR1AOXTRSMN1; SMN2

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 10 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
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
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
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 3/4885NPY1R 548/4885NPY2R 1193/4885

“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.