SCHEMBL1164339

SCHEMBL1164339

CC(C)(CO)C(=O)OC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
EPHX1 P07099 2/20 0.39
NAAA Q02083 2/20 0.37
HTT P42858 3/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CHRM3 P20309 7/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3435204 0.84 EPHX1 (0.43) CYP19A1EPHX1NAAAHTTAPOBEC3A
SCHEMBL132134 0.80 EPHX1 (0.47) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL26357373 0.79 CYP19A1 (0.44) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL13073268 0.79 CYP19A1 (0.46) CYP19A1EPHX1NAAAHTTAPOBEC3A
SCHEMBL3434643 0.78 EPHX1 (0.50) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL20388945 0.78 EPHX1 (0.50) CYP19A1EPHX1NAAAHTTCHRM3
SCHEMBL6898166 0.78 CYP19A1 (0.47) CYP19A1EPHX1NAAAHTTAPOBEC3A
SCHEMBL20512179 0.78
SCHEMBL22064583 0.78 CYP19A1 (0.44) CYP19A1EPHX1NAAAHTTAPOBEC3A
SCHEMBL131561 0.78 EPHX1 (0.50) CYP19A1EPHX1NAAAHTTCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2015-09-24 US disclosed
US-9051248-B2 Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid BHI LIMITED PARTNERSHIP (CA) 2015-06-09 US disclosed
US-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH INC. (CA) 2012-08-16 US disclosed
EP-2464626-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID Bellus Health Inc. (CA) 2012-06-20 EP disclosed
WO-2011017800-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2011-02-17 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-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS CYP19A1 1744/4885EPHX1 303/4885NAAA 1996/4885
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS CYP19A1 1744/4885EPHX1 303/4885NAAA 1996/4885

“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.