SCHEMBL5039013

SCHEMBL5039013

Oc1ccc2c(-c3ccc(F)cc3)nsc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.48
APP P05067 1/20 0.48
SULT1A1 P50225 1/20 0.48
PDPK1 O15530 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL3979992 0.84 LSS (0.48) ESR1PDPK1HSP90AB1ESR2
SCHEMBL5043141 0.84 MIF (0.42) ESR1PDPK1HSP90AB1GAAHSD17B10
SCHEMBL5037998 0.83 MAPK1 (0.49) ESR1PDPK1HSP90AB1ESR2
SCHEMBL8484255 0.77 LSS (0.46) ESR1PDPK1HSP90AB1ESR2
SCHEMBL5043552 0.70 LSS (0.57) GAA
SCHEMBL5035375 0.69 ESR1 (0.47) ESR1APPSULT1A1KDM4ENPC1
SCHEMBL14359839 0.69 MAP2K4 (0.62) ESR1PDPK1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL5035435 0.68 KDM4E (0.38) ESR1KDM4EALDH1A1GAAHPGD
SCHEMBL20425311 0.67 ESR1 (0.60) ESR1APPSULT1A1ESR2
SCHEMBL19143729 0.67 ESR1 (0.60) ESR1APPSULT1A1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 US disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 ESR1 2592/4885APP 4040/4885SULT1A1 91/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ESR1 1155/4885APP 4089/4885SULT1A1 31/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ESR1 1155/4885APP 4089/4885SULT1A1 31/4885

“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.