SCHEMBL10176520

SCHEMBL10176520

C=C(C)CC/C=C(\C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
DHODH Q02127 1/20 0.38
KMT2A Q03164 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
TLR9 Q9NR96 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSEN1 P49768 1/20 0.33

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
SCHEMBL26713425 0.85 STAT3 (0.43) STAT3CTDSP1SIRT5DHODHKMT2A
SCHEMBL5870519 0.81 STAT3 (0.51) STAT3CTDSP1SIRT5DHODHKMT2A
SCHEMBL5741905 0.79 STAT3 (0.50) STAT3CTDSP1SIRT5DHODHKMT2A
SCHEMBL5741906 0.79 STAT3 (0.50) STAT3CTDSP1SIRT5DHODHKMT2A
SCHEMBL3215490 0.78 STAT3 (0.43) STAT3CTDSP1SIRT5DHODHKMT2A
SCHEMBL3135862 0.76 STAT3 (0.52) STAT3CTDSP1SIRT5KMT2AALDH1A1
SCHEMBL23802602 0.76 TRPV1 (0.56) DHODHKMT2ATRPV1ALDH1A1MAPK1
SCHEMBL8058501 0.76 TRPV1 (0.56) DHODHKMT2ATRPV1ALDH1A1MAPK1
SCHEMBL8058497 0.76 TRPV1 (0.56) DHODHKMT2ATRPV1ALDH1A1MAPK1
SCHEMBL15246442 0.76 TRPV1 (0.56) DHODHKMT2ATRPV1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 US disclosed
US-8106036-B2 Pharmaceutical compositions-4 HARBOR BIOSCIENCES, INC. (US) 2012-01-31 US disclosed
US-8022234-B2 Compounds and compositions HARBOR BIOSCIENCES, INC. (US) 2011-09-20 US disclosed
US-7947846-B2 15-OXA-steroid compounds HARBOR BIOSCIENCES, INC. (US) 2011-05-24 US disclosed
US-20110009372-A1 Compounds and compositions BIOVIE INC. 2011-01-13 US disclosed
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 BIOVIE INC. 2010-09-02 US disclosed
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 BIOVIE INC. 2010-09-02 US disclosed
US-7723532-B2 Pharmaceutical compositions 3 HARBOR BIOSCIENCES, INC. (US) 2010-05-25 US disclosed
US-7723532-B2 Pharmaceutical compositions 3 HARBOR BIOSCIENCES, INC. (US) 2010-05-25 US disclosed
US-20090215737-A1 Pharmaceutical Compositions - 2 BIOVIE INC. 2009-08-27 US disclosed
US-7524835-B2 Tetrol steroids and esters HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2009-04-28 US disclosed
EP-1223941-B1 THERAPEUTIC TREATMENTS FOR BLOOD CELL DEFICIENCIES USING SREROIDS HOLLIS EDEN PHARMACEUTICALS (US) 2008-11-05 EP disclosed
US-20080176824-A1 Pharmaceutical Compositions 3 BIOVIE INC. 2008-07-24 US disclosed
US-20080176824-A1 Pharmaceutical Compositions 3 BIOVIE INC. 2008-07-24 US disclosed
US-7396827-B2 Pharmaceutical compositions and treatment methods HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-20080045490-A1 Pharmaceutical Compositions BIOVIE INC. 2008-02-21 US disclosed
US-20070275936-A1 Formulations and Treatment Methods BIOVIE INC. 2007-11-29 US disclosed
US-20070275936-A1 Formulations and Treatment Methods BIOVIE INC. 2007-11-29 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 (7 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-20110009372-A1 Compounds and compositions HSD3B1, CYP17A1, HSD17B1 STAT3 497/4885CTDSP1 1786/4885SIRT5 1038/4885
US-20080045490-A1 Pharmaceutical Compositions HSD3B1, HSD17B3, HSD17B1 STAT3 630/4885CTDSP1 1123/4885SIRT5 1385/4885
US-20090215737-A1 Pharmaceutical Compositions - 2 HSD3B2, HSD3B1, HSD17B2 STAT3 863/4885CTDSP1 673/4885SIRT5 2042/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 STAT3 2648/4885CTDSP1 2159/4885SIRT5 1467/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 STAT3 784/4885CTDSP1 1506/4885SIRT5 1963/4885
US-20080176824-A1 Pharmaceutical Compositions 3 HSD3B1, HSD17B3, HSD3B2 STAT3 488/4885CTDSP1 1292/4885SIRT5 1847/4885
US-20070275936-A1 Formulations and Treatment Methods HSD3B1, HSD17B1, HSD17B3 STAT3 605/4885CTDSP1 2134/4885SIRT5 739/4885

“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.