SCHEMBL5514925

SCHEMBL5514925

O=C(O)Cc1c(-c2cc(C(F)(F)F)cc(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
IDH2 P48735 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAP2K4 P45985 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL5509703 0.90 GLA (0.43) MAPTLMNATP53TDP1MAP2K4
SCHEMBL27720095 0.87 MAPT (0.40) MAPTLMNATP53IDH2TDP1
SCHEMBL5510950 0.86 ALDH1A1 (0.52) LMNATDP1MAP2K4KDM4EALDH1A1
SCHEMBL5518397 0.85 PTGDR2 (0.48) LMNAPTGDR2TDP1KDM4EALDH1A1
SCHEMBL5621435 0.82 TDP1 (0.41) MAPTLMNATP53IDH2TDP1
SCHEMBL5513396 0.81 NR1H2 (0.40) MAPTLMNATP53IDH2TDP1
SCHEMBL28772378 0.81 PTGDR2 (0.32) MAPTPTGDR2IDH2TDP1
SCHEMBL5514881 0.78 ALDH1A1 (0.46) MAPTLMNAPTGDR2KDM4EALDH1A1
SCHEMBL5514824 0.78 BRD4 (0.49) MAPTLMNAPTGDR2KDM4EALDH1A1
SCHEMBL2876476 0.78 ALDH1A1 (0.43) MAPTPTGDR2KDM4EALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN claimed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US claimed
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 MAPT 2224/4885LMNA 3830/4885TP53 2829/4885

“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.