SCHEMBL868046

SCHEMBL868046

CS(=O)(=O)C(S(C)(=O)=O)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CA2 P00918 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
SCHEMBL727935 0.76 CA5A (0.46) CA5ACA5BCA2
SCHEMBL800271 0.76 KDM4E (0.46) KDM4ECYP3A4CA2
Lithium SCHEMBL30522213 0.72 CA5A (0.42) CA5ACA5BCA2
Water SCHEMBL6822518 0.72 CA5A (0.42) CA5ACA5BCA2
SCHEMBL11969893 0.72 CA5A (0.42) CA5ACA5BCA2
SCHEMBL29044711 0.72 CA5A (0.42) CA5ACA5BCA2
SCHEMBL10626545 0.69 ALDH1A1 (0.32) KDM4ECYP3A4CA5ACA5BCA2
SCHEMBL15109974 0.66
SCHEMBL25599 0.66 CA2 (0.58) KDM4ECYP3A4CA5ACA5BCA2
SCHEMBL105 0.66

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618903-B1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEM CO (US) 2016-01-27 EP claimed
EP-2831029-A1 HYDROCARBOXYLATION OF METHYLENE DIPROPIONATE IN THE PRESENCE OF A PROPIONIC ACID AND A HOMOGENEOUS CATALYST Eastman Chemical Company (US) 2015-02-04 EP claimed
EP-2831026-A1 HYDROCARBOXYLATION OF FORMALDEHYDE IN THE PRESENCE OF A HIGHER ORDER CARBOXYLIC ACID AND A HOMOGENEOUS CATALYST Eastman Chemical Company (US) 2015-02-04 EP claimed
EP-2831040-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST Eastman Chemical Company (US) 2015-02-04 EP claimed
US-8927766-B2 Hydrocarboxylation of methylene dipropionate in the presence of a propionic acid and a homogeneous catalyst EASTMAN CHEMICAL COMPANY (US) 2015-01-06 US claimed
US-8785686-B2 Process for recovering and recycling an acid catalyst EASTMAN CHEMICAL COMPANY (US) 2014-07-22 US claimed
US-8765999-B2 Hydrocarboxylation of formaldehyde in the presence of a higher order carboxylic acid and a homogeneous catalyst EASTMAN CHEMICAL COMPANY (US) 2014-07-01 US claimed
US-8709376-B2 Process for recovering and recycling an acid catalyst EASTMAN CHEMICAL COMPANY (US) 2014-04-29 US claimed
US-20130261329-A1 HYDROCARBOXYLATION OF METHYLENE DIPROPIONATE IN THE PRESENCE OF A PROPIONIC ACID AND A HOMOGENEOUS CATALYST EASTMAN CHEMICAL COMPANY (US) 2013-10-03 US claimed
US-20130261328-A1 HYDROCARBOXYLATION OF FORMALDEHYDE IN THE PRESENCE OF A HIGHER ORDER CARBOXYLIC ACID AND A HOMOGENEOUS CATALYST EASTMAN CHEMICAL COMPANY (US) 2013-10-03 US claimed
WO-2013148497-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2013-10-03 WO claimed
WO-2013148513-A1 HYDROCARBOXYLATION OF FORMALDEHYDE IN THE PRESENCE OF A HIGHER ORDER CARBOXYLIC ACID AND A HOMOGENEOUS CATALYST EASTMAN CHEMICAL COMPANY (US) 2013-10-03 WO claimed
WO-2013148483-A1 HYDROCARBOXYLATION OF METHYLENE DIPROPIONATE IN THE PRESENCE OF A PROPIONIC ACID AND A HOMOGENEOUS CATALYST EASTMAN CHEMICAL COMPANY (US) 2013-10-03 WO claimed
EP-2618903-A2 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST Eastman Chemical Company (US) 2013-07-31 EP claimed
US-20120215027-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-08-23 US claimed
US-20120078010-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-03-29 US claimed
WO-2012040007-A2 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-03-29 WO claimed
EP-2618903-B1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEM CO (US) 2016-01-27 EP disclosed
US-20120078010-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-03-29 US disclosed
WO-2012040007-A2 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-03-29 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-20130261328-A1 HYDROCARBOXYLATION OF FORMALDEHYDE IN THE PRESENCE OF A HIGHER ORDER CARBOXYLIC ACID AND A HOMOGENEOUS CATALYST GRHPR, HAO2, HPD KDM4E 1119/4885CYP3A4 115/4885CA5A 465/4885
US-20130261329-A1 HYDROCARBOXYLATION OF METHYLENE DIPROPIONATE IN THE PRESENCE OF A PROPIONIC ACID AND A HOMOGENEOUS CATALYST GRHPR, HPD, PGD KDM4E 1249/4885CYP3A4 94/4885CA5A 285/4885

“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.