SCHEMBL7222256

SCHEMBL7222256

CCCCS(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
KDR P35968 2/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
ESRRA P11474 1/20 0.43
AR P10275 1/20 0.42
MRGPRX1 Q96LB2 2/20 0.42
RAD52 P43351 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KIT P10721 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK1 P23458 1/20 0.39
CYP17A1 P05093 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL7221513 0.90 BRD4 (0.45) BRD4KDRAURKAAURKBESRRA
SCHEMBL7220116 0.86 BCL2L1 (0.48) BRD4KDRAURKAAURKBESRRA
SCHEMBL7226423 0.85 MRGPRX1 (0.45) BRD4KDRAURKAAURKBESRRA
SCHEMBL8307237 0.82 AR (0.56) BRD4KDRAURKAAURKBAR
SCHEMBL8301095 0.78 RAD52 (0.53) BRD4KDRAURKAAURKBESRRA
SCHEMBL7467297 0.76 HPGD (0.43) BRD4KDRAURKAAURKBAR
SCHEMBL7222716 0.72 MRGPRX1 (0.54) BRD4KDRARMRGPRX1RAD52
SCHEMBL7159252 0.72 AR (0.57) BRD4KDRAURKAAURKBAR
SCHEMBL7219476 0.72 MRGPRX1 (0.52) MRGPRX1BCL2L1MCL1
SCHEMBL8306978 0.71 CREBBP (0.44) BRD4KDRARMRGPRX1HPGD

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 6 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
EP-0966436-B1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BAYER AG (DE) 2002-12-11 EP 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
EP-0966436-A1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Bayer Aktiengesellschaft (DE) 1999-12-29 EP disclosed
WO-1998037061-A1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-27 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-20020072529-A1 Arylsulfonamides and analogues ARSA, PRSS12, SNCA BRD4 870/4885KDR 4017/4885AURKA 2972/4885

“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.