SCHEMBL5470482

SCHEMBL5470482

O=C(O)c1c[c]cc(-c2ccccc2)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 3/20 0.59
PTPN1 P18031 5/20 0.56
AKR1C2 P52895 4/20 0.53
AKR1C1 Q04828 4/20 0.53
AKR1C3 P42330 2/20 0.53
PTPN6 P29350 3/20 0.51
PTPN2 P17706 2/20 0.51
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
AKR1C4 P17516 1/20 0.42
ACMSD Q8TDX5 2/20 0.42
MCL1 Q07820 2/20 0.42
THRB P10828 1/20 0.42
DHFR P00374 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL27734030 0.82 BACE1 (0.50) HNF4APTPN1AKR1C2AKR1C1AKR1C3
SCHEMBL6198273 0.77 SELL (0.42) HNF4AAKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL5475150 0.77 TDP1 (0.54) PTPN1PTPN6PTPN2ALDH1A1KDM4E
SCHEMBL7459760 0.76 HNF4A (0.47) HNF4APTPN1AKR1C2AKR1C1AKR1C3
SCHEMBL8206543 0.75 BCAT2 (0.64) HNF4APTPN1FABP3FABP4FABP5
SCHEMBL29662951 0.75 HNF4A (1.00) HNF4APTPN1AKR1C2AKR1C1AKR1C3
SCHEMBL73041 0.75 HNF4A (1.00) HNF4APTPN1AKR1C2AKR1C1AKR1C3
SCHEMBL5964729 0.73 HNF4A (0.96) HNF4APTPN1AKR1C2AKR1C1AKR1C3
SCHEMBL410536 0.73 HNF4A (0.96) HNF4APTPN1AKR1C2AKR1C1AKR1C3
SCHEMBL2194291 0.73 ESR2 (0.46) HNF4APTPN1AKR1C2AKR1C1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 HNF4A 4174/4885PTPN1 3264/4885AKR1C2 2266/4885

“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.