SCHEMBL7228145

SCHEMBL7228145

OCc1ccc2c(O)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.55
HSD17B1 P14061 9/20 0.52
HSD17B2 P37059 9/20 0.52
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
CYP1A2 P05177 1/20 0.50
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
NQO2 P16083 1/20 0.41
TTR P02766 1/20 0.41
ERN1 O75460 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
1-Naphthol SCHEMBL28212404 0.85 CYP1A2 (0.59) PLAUHSD17B1HSD17B2CYP1A2CTDSP1
SCHEMBL15345538 0.82 PLAU (0.58) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL3359160 0.82 CYP1A2 (0.53) PLAUHSD17B1HSD17B2ESR1ESR2
1-Naphthol SCHEMBL27503865 0.82 CYP1A2 (0.71) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL3045619 0.80 MAPK1 (0.45) CYP1A2
SCHEMBL30504155 0.80 MAPK1 (0.45) CYP1A2
SCHEMBL8922542 0.79 IDH1 (0.56) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL5541800 0.79 CNR1 (0.52) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL30293100 0.79 GRIN2D (0.42) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL7221961 0.78 SLC9A1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
CN-101177385-B Aryl sulfonic acid amides and analogues as well as its purpose in curing neural degeneration disease BAYER AG 2011-06-15 CN disclosed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
CN-100453529-C Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2009-01-21 CN disclosed
CN-101177385-A Aryl sulfonic acid amides and analogues as well as its purpose in curing neural degeneration disease BAYER AG (DE) 2008-05-14 CN disclosed
CN-100371318-C Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2008-02-27 CN disclosed
CN-1754873-A Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2006-04-05 CN disclosed
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
CN-1253545-A Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2000-05-17 CN 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 (3 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-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 PLAU 2978/4885HSD17B1 2015/4885HSD17B2 2573/4885
US-20020072529-A1 Arylsulfonamides and analogues ARSA, PRSS12, SNCA PLAU 1508/4885HSD17B1 3314/4885HSD17B2 2804/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PLAU 3658/4885HSD17B1 4042/4885HSD17B2 4375/4885

“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.