SCHEMBL498648

SCHEMBL498648

COc1ccc(-c2cc3ccc(O)cc3s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.73
ESR1 P03372 10/20 0.73
APP P05067 3/20 0.58
SULT1A1 P50225 1/20 0.57
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ABL1 P00519 1/20 0.49

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
SCHEMBL6171301 0.91 ESR2 (0.68) ESR2ESR1APPSULT1A1NPC1
SCHEMBL1665299 0.87 NPC1 (0.56) ESR2ESR1APPNPC1TP53
SCHEMBL31310542 0.87 NPC1 (0.56) ESR2ESR1APPNPC1TP53
SCHEMBL7645052 0.85 ESR1 (0.69) ESR2ESR1APPSULT1A1HDAC6
Raloxifene Core SCHEMBL2567321 0.85 ESR1 (1.00) ESR2ESR1APP
Raloxifene Core SCHEMBL29941293 0.85 ESR1 (1.00) ESR2ESR1APP
SCHEMBL5681634 0.83 ESR1 (0.58) ESR2ESR1APPNPC1TP53
SCHEMBL7642766 0.82 ESR1 (0.65) ESR2ESR1APPHSD17B10HDAC6
SCHEMBL3139631 0.82 ESR1 (1.00) ESR2ESR1APPHDAC6
SCHEMBL7450918 0.81 ESR1 (0.63) ESR2ESR1APPSULT1A1HDAC6

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 US claimed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 US claimed
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP claimed
US-8124776-B2 Process and intermediates for preparing arzoxifene ELI LILLY AND COMPANY (US) 2012-02-28 US disclosed
US-8124776-B2 Process and intermediates for preparing arzoxifene ELI LILLY AND COMPANY (US) 2012-02-28 US disclosed
US-8124776-B2 Process and intermediates for preparing arzoxifene ELI LILLY AND COMPANY (US) 2012-02-28 US disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
US-20100137602-A1 PROCESS AND INTERMEDIATES FOR PREPARING ARZOXIFENE ELI LILLY AND COMPANY 2010-06-03 US disclosed
US-20100137602-A1 PROCESS AND INTERMEDIATES FOR PREPARING ARZOXIFENE ELI LILLY AND COMPANY 2010-06-03 US disclosed
US-20100137602-A1 PROCESS AND INTERMEDIATES FOR PREPARING ARZOXIFENE ELI LILLY AND COMPANY 2010-06-03 US disclosed
WO-2008115686-A1 PROCESS AND INTERMEDIATES FOR PREPARING ARZOXIFENE ELI LILLY AND COMPANY (US) 2008-09-25 WO disclosed
WO-2008115686-A1 PROCESS AND INTERMEDIATES FOR PREPARING ARZOXIFENE ELI LILLY AND COMPANY (US) 2008-09-25 WO disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
US-6921827-B2 Process for preparing 3-aryl-benzo{b} thiophenes ELI LILLY AND COMPANY (US) 2005-07-26 US disclosed
US-20040132775-A1 Process for preparing 3-aryl-benzo{b} thiophenes LUKE WAYNE DOUGLAS (US) 2004-07-08 US disclosed
US-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 US disclosed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 US disclosed
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 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 (2 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-20040132775-A1 Process for preparing 3-aryl-benzo{b} thiophenes TBCB, CYP1B1, TST ESR2 3551/4885ESR1 4134/4885APP 1569/4885
US-20100137602-A1 PROCESS AND INTERMEDIATES FOR PREPARING ARZOXIFENE CYP2F1, CYP4X1, CYP3A43 ESR2 699/4885ESR1 829/4885APP 3932/4885

“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.