Sugi Predict

Sugi Predict / Compounds / SCHEMBL5819121

SCHEMBL5819121

SCHEMBL5819121

O=C(c1ccc(OCCN2CCOCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 20/20 0.84
▸ ESR2 Q92731 19/20 0.84
▸ MEN1 O00255 2/20 0.82
▸ ALDH1A1 P00352 2/20 0.82
▸ LMNA P02545 2/20 0.82
▸ TP53 P04637 2/20 0.82
▸ CYP3A4 P08684 2/20 0.82
▸ MAPT P10636 2/20 0.82
▸ ALOX15 P16050 2/20 0.82
▸ KMT2A Q03164 2/20 0.82
▸ HSD17B10 Q99714 2/20 0.82
▸ TDP1 Q9NUW8 2/20 0.82
▸ PLD2 O14939 1/20 0.82
▸ KDM1A O60341 1/20 0.82
▸ NR1I2 O75469 1/20 0.82
▸ USP2 O75604 1/20 0.82
▸ C5 P01031 1/20 0.82
▸ FYN P06241 1/20 0.82
▸ PGR P06401 1/20 0.82
▸ ADRA2A P08913 1/20 0.82

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
Hydrochloric Acid SCHEMBL7616206 0.99 ESR1 (0.83) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7629377 0.94 ESR1 (0.83) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL3016712 0.92 ESR1 (0.90) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL6595228 0.92 ESR1 (0.83) ESR1ESR2MEN1ALDH1A1LMNA
Ly-117018 SCHEMBL4884822 0.91 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Ly-117018 SCHEMBL29417500 0.91 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Ly-117018 SCHEMBL7080240 0.90 ESR1 (0.98) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL9145135 0.90 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5821250 0.90 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL6144 0.90 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
EP-0832889-B1 Process for the synthesis of benzothiophenes LILLY CO ELI (US) 2006-03-01 — — EP disclosed
US-20020173645-A1 Non-solvated crystalline 6-hydroxy-2- (4-hydroxyphenyl) -3- [4- (2-piperidinoethoxy) benzoyl] benzo [b] thiophene hydrochloride LUKE WAYNE DOUGLAS (US) 2002-11-21 — — US disclosed
US-6472531-B1 SINGLE REACTION VESSEL ACYLATION AND DEETHERIFICATION PRODUCTION OF CRYSTALLINE, HIGH PURITY CHEMICAL INTERMEDIATES FOR SUCH AS PHARMACEUTICALS ELI LILLY AND COMPANY 2002-10-29 — — US disclosed
US-6399778-B1 CRYSTALLINE SOLVATE ELI LILLY AND COMPANY 2002-06-04 — — US disclosed
EP-0842930-B1 Process for the synthesis of benzothiophenes LILLY CO ELI (US) 2002-05-15 — — EP disclosed
EP-0693488-B1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes LILLY CO ELI (US) 2001-09-19 — — EP disclosed
EP-0791591-B1 Benzothiophenes, formulations containing same, and methods for their préparation LILLY CO ELI (US) 2001-08-29 — — EP disclosed
US-6008377-A ACYLATING A N-DISUBSTITUED-PHENYLOXYETHYLAMINE CHLORO OR BROMO SALT WITH A BENZOTHIOPHENE DERIVATIVE IN PRESENCE OF TRIBOROCHLORIDE OR BROMIDE, DEALKYLATING ONE OR MORE PHENOLIC GROUP OF THE PRODUCT WITH ADDITIONAL BOROHALIDE ELI LILLY AND COMPANY (US) 1999-12-28 — — US disclosed
US-5994547-A Process for preparing benzo[b]thiophenes ELI LILLY AND COMPANY (US) 1999-11-30 — — US disclosed
EP-0791591-A1 Benzothiophenes, formulations containing same, and methods ELI LILLY AND COMPANY (US) 1997-08-27 — — EP disclosed
US-5629425-A NONSTEROIDAL ANTIESTROGEN ELI LILLY AND COMPANY (US) 1997-05-13 — — US disclosed
US-5523416-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo (B)-thiophenes ELI LILLY AND COMPANY (US) 1996-06-04 — — US disclosed
EP-0693488-A1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes ELI LILLY AND COMPANY (US) 1996-01-24 — — EP disclosed
EP-0062504-B1 PROCESS FOR PREPARING 3-(4-AMINOETHOXYBENZOYL)BENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1986-01-02 — — EP disclosed
EP-0062505-B1 A PROCESS FOR PREPARING ACYLATED BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1985-07-24 — — EP disclosed
US-4380635-A Synthesis of acylated benzothiophenes ELI LILLY AND COMPANY (US) 1983-04-19 — — US disclosed
US-4358593-A BY ACYLATION OF PROTECTED 6-HYDROXY,2-(4-HYDROXYPHENYL) BENZO (B)THIOPHENE USING A FRIEDEL CRAFTS CATALYSTS; HYDROLYSIS ELI LILLY AND COMPANY (US) 1982-11-09 — — US disclosed
EP-0062505-A1 A process for preparing acylated benzothiophenes ELI LILLY AND COMPANY (US) 1982-10-13 — — EP disclosed
EP-0062504-A1 Process for preparing 3-(4-aminoethoxybenzoyl)benzo(b)thiophenes ELI LILLY AND COMPANY (US) 1982-10-13 — — 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-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES ELOVL5, ELOVL3, ELOVL6 ESR1 7/4885ESR2 5/4885MEN1 2409/4885
US-20020173645-A1 Non-solvated crystalline 6-hydroxy-2- (4-hydroxyphenyl) -3- [4- (2-piperidinoethoxy) benzoyl] benzo [b] thiophene hydrochloride HTR3B, HTR3C, HTR2B ESR1 4320/4885ESR2 4181/4885MEN1 4881/4885

“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.