SCHEMBL2522381

SCHEMBL2522381

CCCCCC(SC(CCCCC)C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.47
▸ CES1 P23141 3/20 0.47
▸ PRSS1 P07477 3/20 0.47
▸ CTSG P08311 3/20 0.47
▸ CTRB1 P17538 3/20 0.47
▸ CMA1 P23946 3/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ NAAA Q02083 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ PGR P06401 1/20 0.44

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
SCHEMBL9576675 0.81 MMP2 (0.61) CES2CES1PRSS1CTSGCTRB1
SCHEMBL7066806 0.81 MDM2 (0.52) CES2CES1PRSS1CTSGCTRB1
Hydrochloric Acid SCHEMBL9449101 0.80 CES2 (0.47) CES2CES1PRSS1CTSGCTRB1
SCHEMBL30979218 0.79 CES2 (0.53) CES2CES1PRSS1CTSGCTRB1
SCHEMBL6424289 0.79 CES2 (0.50) CES2CES1PRSS1CTSGCTRB1
SCHEMBL637814 0.79 GPR84 (0.53) CES2CES1PRSS1CTSGCTRB1
SCHEMBL10456426 0.79 CES2 (0.53) CES2CES1PRSS1CTSGCTRB1
SCHEMBL9352547 0.79 CES2 (0.50) CES2CES1PRSS1CTSGCTRB1
SCHEMBL29117316 0.79 MMP2 (0.63) CES2CES1PRSS1CTSGCTRB1
SCHEMBL27836181 0.79 CES2 (0.53) CES2CES1PRSS1CTSGCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030330-B2 Benzothiophenes, formulations containing same, and methods ELI LILLY AND COMPANY (US) 2011-10-04 — — US disclosed
US-20100255106-A1 BENZOTHIOPHENES, FORMULATIONS CONTAINING SAME, AND METHODS ARBUTHNOT GORDON NELSON 2010-10-07 — — US disclosed
US-20050239840-A1 Benzothiophenes, formulations containing same, and methods ARBUTHNOT GORDON N 2005-10-27 — — US disclosed
US-6894064-B2 Benzothiophenes, formulations containing same, and methods ELI LILLY AND COMPANY (US) 2005-05-17 — — US disclosed
US-6797719-B2 OSTEOPOROSIS; ANTILIPEMIC AGENTS; ANTICANCER AGENTS ELI LILLY AND COMPANY 2004-09-28 — — US disclosed
US-20040180932-A1 Benzothiophenes, formulations containing same, and methods ARBUTHNOT GORDON NELSON (US) 2004-09-16 — — US disclosed
US-20030187025-A1 Benzothiophenes, formulations containing same, and methods ARBUTHNOT GORDON NELSON (US) 2003-10-02 — — US disclosed
EP-0832891-B1 Dihydrobenzo (B) indeno (2,1-D) thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-07-30 — — EP disclosed
EP-0832890-B1 Benzo (B) indeno (2,1-D) thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-07-02 — — 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-6133458-A FOR INHIBITING BONE LOSS OR BONE RESORPTION, PARTICULARLY OSTEOPOROSIS, CARDIOVASCULAR-RELATED PATHOLOGICAL CONDITIONS INCLUDING HYPERLIPIDEMIA AND RELATED CARDIOVASCULAR PATHOLOGIES, AND ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 2000-10-17 — — US 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
EP-0888331-A1 SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1999-01-07 — — EP disclosed
US-5856341-A INHIBITING BONE LOSS OR BONE RESORPTION, PARTICULARLY OSTEOPOROSIS, CARDIOVASCULAR-RELATED PATHOLOGICAL CONDITIONS INCLUDING HYPERLIPIDEMIA, ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-01-05 — — US disclosed
US-5834488-A INHIBIT BONE LOSS OR BONE RESORPTION, LOWER SERUM CHOLESTEROL LEVELS, INHIBIT ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1998-11-10 — — US disclosed
EP-0832891-A1 Dihydrobenzo (B) indeno (2,1-D) thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 — — EP disclosed
EP-0832890-A1 Benzo (B) indeno (2,1-D) thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 — — EP disclosed
US-5731327-A Synthesis of 3- 4-(2-aminoethoxy)benzoyl!-2-aryl-6-hydroxybenzo b!thiophenes ELI LILLY AND COMPANY (US) 1998-03-24 — — US disclosed
WO-1997034888-A1 SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1997-09-25 — — WO disclosed
US-5629425-A NONSTEROIDAL ANTIESTROGEN ELI LILLY AND COMPANY (US) 1997-05-13 — — US 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 (5 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-20050239840-A1 Benzothiophenes, formulations containing same, and methods BRCA1, CYP19A1, CYP46A1 CES2 3987/4885CES1 859/4885PRSS1 676/4885
US-20040180932-A1 Benzothiophenes, formulations containing same, and methods BRCA1, CYP46A1, SULT1A1 CES2 4088/4885CES1 586/4885PRSS1 509/4885
US-20030187025-A1 Benzothiophenes, formulations containing same, and methods BRCA1, CYP46A1, SULT1A1 CES2 4088/4885CES1 586/4885PRSS1 509/4885
US-20100255106-A1 BENZOTHIOPHENES, FORMULATIONS CONTAINING SAME, AND METHODS BRCA1, CYP19A1, CYP46A1 CES2 3987/4885CES1 859/4885PRSS1 676/4885
US-20020173645-A1 Non-solvated crystalline 6-hydroxy-2- (4-hydroxyphenyl) -3- [4- (2-piperidinoethoxy) benzoyl] benzo [b] thiophene hydrochloride HTR3B, HTR3C, HTR2B CES2 588/4885CES1 3767/4885PRSS1 3787/4885

“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.

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