Sugi Predict

Sugi Predict / Compounds / SCHEMBL2357968

SCHEMBL2357968

SCHEMBL2357968

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 6/20 0.57
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ELANE P08246 1/20 0.34
▸ PRNP P04156 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ MET P08581 2/20 0.32
▸ AXL P30530 2/20 0.32
▸ TYRO3 Q06418 2/20 0.32
▸ MERTK Q12866 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32

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
SCHEMBL27997693 0.93 NR3C2 (0.57) NR3C2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2359896 0.93 NR3C2 (0.57) NR3C2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2358002 0.89 NR3C2 (0.62) NR3C2ALDH1A1HPGDENPP2MAPT
SCHEMBL27997697 0.89 NR3C2 (0.71) NR3C2ELANEMAPT
SCHEMBL2357188 0.89 NR3C2 (0.71) NR3C2ELANEMAPT
SCHEMBL2359541 0.88 NR3C2 (0.66) NR3C2ELANEALDH1A1METAXL
SCHEMBL2548279 0.88 NR3C2 (0.67) NR3C2ELANEMETAXLTYRO3
SCHEMBL16457080 0.86 NR3C2 (0.46) NR3C2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2357327 0.84 NR3C2 (0.60) NR3C2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2359528 0.83 NR3C2 (0.63) NR3C2NPSR1ENPP2HTTLMNA

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 9 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

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 3/4885CYP3A4 511/4885CYP2D6 319/4885

“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.