SCHEMBL3490631

SCHEMBL3490631

Cc1ccc(S(=O)(=O)OCC[C@@H]2COC(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2724163 1.00 CA2 (0.46) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL879857 1.00 CA2 (0.46) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL2859063 0.94 CA2 (0.41) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL23827433 0.92 CA2 (0.44) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL9281309 0.92 CA2 (0.44) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL7165666 0.91 CA2 (0.43) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL31688970 0.91 CA2 (0.43) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL31688849 0.91 CA2 (0.43) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL898388 0.86 CA2 (0.58) CA2ALDH1A1NPSR1CYP3A4KDM4E
SCHEMBL411517 0.86 CA2 (0.58) CA2ALDH1A1NPSR1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119839-B2 Carboxylic acid and antidepressant composition containing the same as active ingredient YAMADA APICULTURE CENTER, INC. (JP) 2012-02-21 US disclosed
US-8119839-B2 Carboxylic acid and antidepressant composition containing the same as active ingredient YAMADA APICULTURE CENTER, INC. (JP) 2012-02-21 US disclosed
US-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient YAMADA APICULTURE CENTER, INC. (JP) 2010-07-22 US disclosed
US-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient YAMADA APICULTURE CENTER, INC. (JP) 2010-07-22 US disclosed
US-20100076055-A1 Cationic Lipids and Uses Thereof ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
WO-2009129387-A2 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 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 (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-20100076055-A1 Cationic Lipids and Uses Thereof LIPA, SGMS2, SGMS1 CA2 1386/4885ALDH1A1 4724/4885NPSR1 1397/4885
US-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient HSD17B11, HCAR2, HSD11B1 CA2 251/4885ALDH1A1 109/4885NPSR1 399/4885
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 CA2 1386/4885ALDH1A1 4724/4885NPSR1 1397/4885

“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.