SCHEMBL5510592

SCHEMBL5510592

COC(=O)Cc1c(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
KMT2A Q03164 1/20 0.48
BRD4 O60885 3/20 0.48
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MAP2K4 P45985 1/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
EGFR P00533 2/20 0.45
PARG Q86W56 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5520104 0.89 GLA (0.53) ALDH1A1LMNAKMT2ANPSR1KDM4E
SCHEMBL5510950 0.89 ALDH1A1 (0.52) ALDH1A1LMNAKMT2ABRD4NPSR1
SCHEMBL5512257 0.87 SMN1; SMN2 (0.52) ALDH1A1KMT2AKDM4EHPGDEGFR
SCHEMBL27699529 0.87 ALDH1A1 (0.49) ALDH1A1LMNAKMT2ABRD4NPSR1
SCHEMBL5509703 0.87 GLA (0.43) ALDH1A1LMNAKMT2ANPSR1KDM4E
SCHEMBL2878378 0.85 TLR8 (0.45) ALDH1A1BRD4NPSR1KDM4EHPGD
SCHEMBL5516894 0.85 BRD4 (0.48) LMNAKMT2ABRD4HTTTSHR
SCHEMBL5520923 0.84 ALDH1A1 (0.44) ALDH1A1LMNAKMT2ABRD4NPSR1
SCHEMBL2877960 0.84 BRD4 (0.47) ALDH1A1LMNAKMT2ABRD4NPSR1
SCHEMBL5622868 0.84 BRD4 (0.52) BRD4EGFRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1779/4885LMNA 3830/4885KMT2A 4133/4885

“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.