SCHEMBL2551383

SCHEMBL2551383

Cc1cc(NC(=O)c2cc(C[C@H](C)O)n(-c3ccc(Cl)cc3C(F)(F)F)c2C)ccc1S(N)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.74
TMPRSS4 Q9NRS4 7/20 0.39
PTGES2 Q9H7Z7 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
P2RX1 P51575 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 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
SCHEMBL2551428 0.94 NR3C2 (0.74) NR3C2TMPRSS4NPSR1L3MBTL1MAPT
SCHEMBL27997696 0.93 NR3C2 (0.81) NR3C2TMPRSS4NPSR1L3MBTL1MAPT
SCHEMBL2359248 0.93 NR3C2 (0.81) NR3C2TMPRSS4NPSR1L3MBTL1MAPT
SCHEMBL2359459 0.91 NR3C2 (0.61) NR3C2MAPT
SCHEMBL2358524 0.91 NR3C2 (0.60) NR3C2PTGES2NPSR1MAPTMAPK1
SCHEMBL2357191 0.88 NR3C2 (0.58) NR3C2P2RX1
SCHEMBL16456948 0.87 NR3C2 (0.57) NR3C2TMPRSS4PTGES2NPSR1MAPT
SCHEMBL2358468 0.87 NR3C2 (0.64) NR3C2TMPRSS4
SCHEMBL2356581 0.85 NR3C2 (1.00) NR3C2TMPRSS4NPSR1L3MBTL1MAPT
SCHEMBL2357294 0.84 NR3C2 (0.67) NR3C2MAPT

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
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

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 3/4885TMPRSS4 2699/4885PTGES2 394/4885

“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.