SCHEMBL7226423

SCHEMBL7226423

CCCCS(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)c(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 2/20 0.45
BRD4 O60885 2/20 0.45
ESRRA P11474 1/20 0.44
KDR P35968 2/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
AR P10275 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
FABP4 P15090 6/20 0.40
FABP5 Q01469 6/20 0.40
KIT P10721 1/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAD52 P43351 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL7220116 0.91 BCL2L1 (0.48) BRD4ESRRAKDRAURKAAURKB
SCHEMBL7222256 0.85 BRD4 (0.47) MRGPRX1BRD4ESRRAKDRAURKA
SCHEMBL7221513 0.82 BRD4 (0.45) MRGPRX1BRD4ESRRAKDRAURKA
SCHEMBL8307237 0.80 AR (0.56) MRGPRX1BRD4KDRAURKAAURKB
SCHEMBL8301095 0.76 RAD52 (0.53) MRGPRX1BRD4ESRRAKDRAURKA
SCHEMBL7219476 0.75 MRGPRX1 (0.52) MRGPRX1BCL2L1MCL1
SCHEMBL7467297 0.74 HPGD (0.43) MRGPRX1BRD4KDRAURKAAURKB
SCHEMBL28578209 0.72 KMT2A (0.61) ESRRAMEN1KMT2A
SCHEMBL7219583 0.72 AR (0.51) MRGPRX1BRD4ARBCL2L1MCL1
SCHEMBL7221201 0.71 AR (0.47) MRGPRX1BRD4KDRAURKAAURKB

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-6573278-B2 For therapy and prophylaxis of cerebral apoplexy and craniocerebral trauma BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-20020072529-A1 Arylsulfonamides and analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-06-13 US disclosed
US-6262112-B1 1-(4,4,4-TRIFLUOROBUTYLSULPHONYLOXY)-3-(2-(HYDROXYMETHYL)INDAN -4-YLOXY)-BENZENE BAYER AKTIENGESELLSCHAFT (DE) 2001-07-17 US 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-20020072529-A1 Arylsulfonamides and analogues ARSA, PRSS12, SNCA MRGPRX1 1609/4885BRD4 870/4885ESRRA 3684/4885

“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.