SCHEMBL2875009

SCHEMBL2875009

COc1cccc(CCNS(=O)(=O)c2cc(Br)ccc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.65
AKR1C3 P42330 1/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CNR1 P21554 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL2881016 0.87 ALDH1A1 (0.64) ACLYAKR1C3ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2875837 0.83 LMNA (0.55) ALDH1A1SMN1; SMN2LMNAGLA
SCHEMBL22000024 0.79 ACLY (1.00) ACLYAKR1C3ALDH1A1SMN1; SMN2CHRM2
SCHEMBL2877986 0.78 CA12 (0.54) ALDH1A1SMN1; SMN2MAPTPOLBCA1
SCHEMBL2875520 0.77 ACLY (0.54) ACLYAKR1C3ALDH1A1SMN1; SMN2CHRM2
SCHEMBL3409768 0.76 GSTO1 (0.62) ALDH1A1SMN1; SMN2RAB9AMAPTPOLB
SCHEMBL22489819 0.76 TAAR1 (0.48) ACLYALDH1A1CNR1LMNA
SCHEMBL2880609 0.76 ALDH1A1 (0.56) ALDH1A1POLBLMNAGLA
SCHEMBL9813024 0.75 AKR1C3 (0.76) ACLYAKR1C3ALDH1A1SMN1; SMN2CHRM2
SCHEMBL12721426 0.75 CHRM2 (0.64) ACLYAKR1C3ALDH1A1SMN1; SMN2CHRM2

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 1702/4885ALDH1A1 1757/4885

“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.