SCHEMBL3575879

SCHEMBL3575879

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc(C2OCCO2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 6/20 0.32
EDNRA P25101 1/20 0.32
PDE2A O00408 3/20 0.31
NR3C2 P08235 1/20 0.31
MIF P14174 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL3505777 0.80 SRC (0.35) APPLMNAKMT2A
SCHEMBL3568407 0.76 LTB4R (0.33) APPNR3C2MIFGPR119
SCHEMBL24216867 0.71 MAPT (0.49) LMNAGPR119
SCHEMBL2437569 0.70 TDP1 (0.44) APPLMNAKMT2A
SCHEMBL21902944 0.69 APP (0.41) APPLMNAKMT2AABCB1EDNRA
SCHEMBL24089543 0.69 APP (0.41) APPLMNAKMT2AABCB1EDNRA
SCHEMBL3503733 0.69 APP (0.36) APPLMNA
SCHEMBL1704771 0.68 ALDH1A1 (0.37) LMNA
SCHEMBL3568409 0.68 LTB4R (0.34) APP
SCHEMBL4192407 0.66 NPSR1 (0.41)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-7772238-B2 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME CORP. (US) 2010-08-10 US disclosed
US-7772238-B2 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME CORP. (US) 2010-08-10 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090069391-A1 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069391-A1 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
WO-2006115835-A2 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 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 (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-20090069391-A1 Benzothiophene hydroxamic acid derivatives BRDT, HDAC5, BRPF3 APP 2453/4885LMNA 3783/4885KMT2A 71/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 APP 2353/4885LMNA 3991/4885KMT2A 62/4885

“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.