SCHEMBL648910

SCHEMBL648910

COc1cc(C=C2SC(=O)N(CCN3CCCCC3)C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 17/20 0.62
ESRRB O95718 1/20 0.62
ESR1 P03372 1/20 0.62
ESRRG P62508 1/20 0.62
ESR2 Q92731 1/20 0.62
VHL P40337 1/20 0.46
CYP3A4 P08684 2/20 0.46
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL648909 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650091 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL651256 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648125 0.99 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648126 0.99 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649119 0.94 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649120 0.94 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650136 0.93 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650137 0.93 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4405009 0.90 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119669-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US claimed
EP-2132188-B1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-14 EP claimed
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
US-20240050363-A1 VILAZODONE PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI YONSUN BIOTECHNOLOGY CO., LTD. (CN) 2024-02-15 US disclosed
EP-4268802-A1 VILAZODONE PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Yonsun Biotechnology Co., Ltd. (CN) 2023-11-01 EP disclosed
WO-2022135343-A1 VILAZODONE PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF 上海博志研新药物技术有限公司 2022-06-30 WO disclosed
US-20190002444-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE DR. REDDY'S LABORATORIES LIMITED (IN) 2019-01-03 US disclosed
US-10011590-B2 Crystalline forms of vilazodone hydrochloride and vilazodone free base DR. REDDY'S LABORATORIES LIMITED (IN) 2018-07-03 US disclosed
US-20170217939-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE DR. REDDY'S LABORATORIES LIMITED (IN) 2017-08-03 US disclosed
WO-2016128987-A1 A PROCESS FOR PREPARATION OF 2-BENZOFURANCARBOXAMIDE, 5-[4-[4-(5CYANO-1H-INDOL-3-YL)BUTYL]-1-PIPERAZINYL] FREE BASE AND ITS HYDROCHLORIDE SALT HARMAN FINOCHEM LIMITED (IN) 2016-08-18 WO disclosed
WO-2016128987-A1 A PROCESS FOR PREPARATION OF 2-BENZOFURANCARBOXAMIDE, 5-[4-[4-(5CYANO-1H-INDOL-3-YL)BUTYL]-1-PIPERAZINYL] FREE BASE AND ITS HYDROCHLORIDE SALT HARMAN FINOCHEM LIMITED (IN) 2016-08-18 WO disclosed
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
WO-2008109727-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
WO-2008109737-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
WO-2008109731-A2 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JASSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 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 (6 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-20240050363-A1 VILAZODONE PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF VPS51, VARS1, VMA21 ESRRA 1402/4885ESRRB 2764/4885ESR1 2434/4885
US-20170217939-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL ESRRA 2809/4885ESRRB 3586/4885ESR1 3291/4885
US-10011590-B2 Crystalline forms of vilazodone hydrochloride and vilazodone free base VIL1, VMA21, PYGL ESRRA 2809/4885ESRRB 3586/4885ESR1 3291/4885
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG ESRRA 2/4885ESRRB 4/4885ESR1 7/4885
US-20190002444-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL ESRRA 2809/4885ESRRB 3586/4885ESR1 3291/4885
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885ESRRB 4/4885ESR1 7/4885

“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.