SCHEMBL2103554

SCHEMBL2103554

CC(C)[Si](Oc1ccc(C(=O)Cc2ccccc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
SRD5A2 P31213 2/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.44
EGFR P00533 2/20 0.44
PLAU P00749 3/20 0.43
KMT2A Q03164 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ELANE P08246 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL6784674 0.94 PLAU (0.48) STSL3MBTL1MAPTPPARGPPARA
SCHEMBL6780164 0.87 NPC1 (0.56) MAPTNPC1RAB9AKMT2A
SCHEMBL6690529 0.87 CYP19A1 (0.48) STSL3MBTL1PPARGPPARANPC1
SCHEMBL6777630 0.86 NPC1 (0.45) L3MBTL1NPC1RAB9AKMT2A
SCHEMBL6690214 0.85 POLB (0.49) TSHR
SCHEMBL2937613 0.85 NPC1 (0.42) STSL3MBTL1MAPTPPARGPPARA
SCHEMBL2938988 0.82 NPC1 (0.42) STSL3MBTL1MAPTPPARGPPARA
SCHEMBL23036220 0.80 ALDH1A1 (0.59) L3MBTL1MAPTNPC1RAB9ATSHR
SCHEMBL2931737 0.80 NPC1 (0.41) PPARGPPARANPC1RAB9A
SCHEMBL17070018 0.80 ELANE (0.58) STSSRD5A2NPC1RAB9AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
US-6750213-B2 BONE DISORDERS; UROGENITAL SYSTEM DISORDERS; ANTICANCER AGENTS MERCK & CO., INC. 2004-06-15 US disclosed
US-20030225132-A1 Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders DININNO FRANK P (US) 2003-12-04 US disclosed
WO-2003086388-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003087073-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
US-20020165226-A1 Estrogen receptor modulators MERCK & CO., INC. 2002-11-07 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 (3 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 STS 40/4885L3MBTL1 1803/4885MAPT 4652/4885
US-20020165226-A1 Estrogen receptor modulators ESRRA, GPER1, ESRRB STS 2761/4885L3MBTL1 2017/4885MAPT 843/4885
US-20030225132-A1 Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders GPER1, ESR2, ESR1 STS 991/4885L3MBTL1 2140/4885MAPT 688/4885

“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.