SCHEMBL2551428

SCHEMBL2551428

Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)c(Cl)c2)cc(C[C@H](C)O)n1-c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.74
TMPRSS4 Q9NRS4 6/20 0.40
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 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
SCHEMBL2551383 0.94 NR3C2 (0.74) NR3C2TMPRSS4NR1H4LMNAPOLB
SCHEMBL2358468 0.93 NR3C2 (0.64) NR3C2TMPRSS4CHRM2CHRM4CHRM5
SCHEMBL2547117 0.88 NR3C2 (0.58) NR3C2CNR2
SCHEMBL27997696 0.88 NR3C2 (0.81) NR3C2TMPRSS4NR1H4ALDH1A1LMNA
SCHEMBL2359248 0.88 NR3C2 (0.81) NR3C2TMPRSS4NR1H4ALDH1A1LMNA
SCHEMBL2550462 0.86 NR3C2 (0.69) NR3C2CHRM2CHRM4CHRM5CHRM1
SCHEMBL2356581 0.85 NR3C2 (1.00) NR3C2TMPRSS4LMNAPOLBMAPT
SCHEMBL2360202 0.85 NR3C2 (0.58) NR3C2LMNARAB9ASMN1; SMN2NPSR1
SCHEMBL2359459 0.85 NR3C2 (0.61) NR3C2MAPT
SCHEMBL2358524 0.84 NR3C2 (0.60) NR3C2ALDH1A1LMNAPOLBMAPT

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 6 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

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 2699/4885CHRM2 171/4885

“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.