SCHEMBL5045447

SCHEMBL5045447

COc1ccc2c(-c3ccc(F)cc3)csc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAOB P27338 1/20 0.45
TP53 P04637 1/20 0.43
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
GCGR P47871 1/20 0.42
LSS P48449 2/20 0.41
SQOR Q9Y6N5 1/20 0.40
GSK3B P49841 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5815037 0.91 MAOB (0.44) APPCYP1A1CYP1B1MAOBLSS
SCHEMBL4744399 0.85 MIF (0.48) MAPK14GCGRLSSMEN1ALOX15
SCHEMBL22871555 0.85 MAPK13 (0.44) APPCYP1A1CYP1B1MAOBMAPK14
SCHEMBL5043116 0.85 LSS (0.54) APPCYP1A1CYP1B1MAOBTP53
SCHEMBL6281250 0.85 XDH (0.49) APPCYP1A1CYP1B1MAOBTP53
SCHEMBL8341333 0.84 PIN1 (0.51) MAOBTP53NPC1RAB9AMEN1
SCHEMBL6984133 0.83 MAPT (0.44) MAPK14MAPK13MAPK12MAPK11GCGR
Hydrochloric Acid SCHEMBL6981985 0.82 MAPT (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL17154291 0.80 APP (0.45) APPTP53MAPK14GCGRNPC1
SCHEMBL6285585 0.79 ALDH1A1 (0.40) APPMAOBLSSNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10888545-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-12 US disclosed
EP-3192795-B1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS UNIV ILLINOIS (US) 2020-12-02 EP disclosed
EP-3192795-B1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS UNIV ILLINOIS (US) 2020-12-02 EP disclosed
US-10464930-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-11-05 US disclosed
US-10464930-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-11-05 US disclosed
US-10160752-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-12-25 US disclosed
US-20180214414-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS UNIV ILLINOIS (US) 2018-08-02 US disclosed
US-20180214414-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS UNIV ILLINOIS (US) 2018-08-02 US disclosed
US-9895348-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-02-20 US disclosed
US-9895348-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-02-20 US disclosed
WO-2014066692-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-01 WO disclosed
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 (7 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-10464930-B2 Compositions and methods for treating estrogen-related medical disorders HSD17B11, CYP19A1, ESR1 APP 3557/4885CYP1A1 192/4885CYP1B1 245/4885
US-10160752-B2 Compositions and methods for treating estrogen-related medical disorders HSD17B11, CYP19A1, ESR1 APP 3557/4885CYP1A1 192/4885CYP1B1 245/4885
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 APP 4040/4885CYP1A1 272/4885CYP1B1 185/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 APP 4089/4885CYP1A1 153/4885CYP1B1 74/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 APP 4089/4885CYP1A1 153/4885CYP1B1 74/4885
US-10888545-B2 Compositions and methods for treating estrogen-related medical disorders HSD17B11, SHBG, ESRRB APP 4504/4885CYP1A1 686/4885CYP1B1 586/4885
US-20180214414-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, SHBG, ESRRB APP 4504/4885CYP1A1 686/4885CYP1B1 586/4885

“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.