SCHEMBL4670210

SCHEMBL4670210

NC(=O)Cc1ccc2c(Br)c(O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
CA2 P00918 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP19A1 P11511 1/20 0.40
PTPN1 P18031 1/20 0.40
AKR1B1 P15121 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
RGS12 O14924 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 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
SCHEMBL9506115 0.86 GAA (0.56) ESR1ESR2CA2HSD17B1HSD17B2
SCHEMBL4670454 0.82 HDAC1 (0.44) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL4670607 0.80 ESR1 (0.53) ESR1ESR2CA2HSD17B1HSD17B2
SCHEMBL4673038 0.80 NCEH1 (0.49) POLBKDM4ECYP19A1NCEH1LMNA
SCHEMBL27608928 0.77 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL6684335 0.76 CA2 (0.53) CA2
SCHEMBL4670605 0.76 LCK (0.58) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL4670147 0.76 NCEH1 (0.43) KDM4EALDH1A1CYP19A1PTPN1AKR1B1
SCHEMBL2734611 0.74 KDM4E (0.67) CA2POLBKDM4EALDH1A1RGS12
SCHEMBL27590502 0.74 NCEH1 (0.41) ESR1ESR2HSD17B1HSD17B2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 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-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 ESR1 2824/4885ESR2 2174/4885CA2 764/4885

“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.