SCHEMBL2873169

SCHEMBL2873169

COC(=O)C(=O)c1c(-c2ccc(Cl)c(S(=O)(=O)NCCc3cccc(OC)c3)c2)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.51
AKR1C3 P42330 1/20 0.44
CNR1 P21554 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.40
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
POLB P06746 2/20 0.40
MGAM O43451 1/20 0.40
MAPK14 Q16539 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
SCHEMBL2873354 0.92 ALDH1A1 (0.52) AKR1C3CNR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2878276 0.92 MAPT (0.48) CNR1MAPTALDH1A1SMN1; SMN2ALOX5
SCHEMBL3998451 0.89 ACLY (0.50) ACLYAKR1C3CNR1MAPTALDH1A1
SCHEMBL2872278 0.87 ACLY (0.51) ACLYAKR1C3CNR1MAPTALDH1A1
SCHEMBL2873463 0.87 ACLY (0.51) ACLYAKR1C3CNR1MAPTALDH1A1
SCHEMBL2873564 0.86 MAPT (0.44) MAPTALDH1A1ALOX5POLBMGAM
SCHEMBL2869092 0.85 ALDH1A1 (0.54) AKR1C3CNR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2878337 0.85 MAPT (0.47) MAPTPOLBMGAM
SCHEMBL3998593 0.80 ALDH1A1 (0.50) AKR1C3CNR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2878392 0.80 MGAM (0.45) MAPTPOLBMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 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-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 ACLY 4136/4885AKR1C3 1702/4885CNR1 163/4885

“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.