SCHEMBL5409379

SCHEMBL5409379

Cc1ccc(S(=O)(=O)OC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.43
CA1 P00915 11/20 0.43
CA9 Q16790 7/20 0.43
CA12 O43570 6/20 0.43
SERPINE1 P05121 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SYK P43405 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
EGFR P00533 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL31628435 0.94 SYK (0.41) CA2CA1CA9CA12SERPINE1
SCHEMBL5413300 0.92 SERPINE1 (0.40) CA2CA1CA9CA12SERPINE1
SCHEMBL17250723 0.89 CA2 (0.40) CA2CA1CA9CA12SERPINE1
SCHEMBL18551136 0.88 CA2 (0.43) CA2CA1CA9CA12ALDH1A1
SCHEMBL22952575 0.88 CA2 (0.43) CA2CA1CA9CA12SERPINE1
SCHEMBL21046004 0.88 CA2 (0.43) CA2CA1CA9CA12ALDH1A1
SCHEMBL16935947 0.88 CA2 (0.43) CA2CA1CA9CA12ALDH1A1
SCHEMBL17664852 0.87 CA2 (0.47) CA2CA1CA9CA12ALDH1A1
SCHEMBL24391429 0.87 CA2 (0.42) CA2CA1CA9CA12ALDH1A1
SCHEMBL17792643 0.87 PLA2G2C (0.43) CA2CA1CA9CA12SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN RESEARCH & DEVELOPMENT, LLC 2024-05-16 US disclosed
EP-4284801-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
WO-2022165529-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 WO disclosed
US-7253296-B2 Acylated aminopropanediols and analogues and therapeutic uses thereof GENFIT (FR) 2007-08-07 US disclosed
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof GENFIT (FR) 2006-07-13 US disclosed
US-20060069156-A1 Acylated aminopropanediols and analogues and therapeutic uses thereof GENFIT (FR) 2006-03-30 US disclosed
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f GENTIF (FR) 2006-02-16 US disclosed
EP-1596845-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF Genfit (FR) 2005-11-23 EP disclosed
EP-1594486-A2 USES OF ACYLATED AMINOPROPANEDIOLS AND SULPHUR AND NITROGEN ANALOGUES OF SAME Genfit (FR) 2005-11-16 EP disclosed
EP-1592660-A1 ACYLATED AMINOPROPANEDIOLS AND ANALOGUES AND THERAPEUTIC USES THEREOF Genfit (FR) 2005-11-09 EP disclosed
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO disclosed
WO-2004073593-A2 USE OF ACYLATED AMINOPROPANEDIOLS AND SULPHUR AND NITROGEN ANALOGUES OF SAME FOR DIFFERENT THERAPEUTIC APPLICATIONS GENFIT (FR) 2004-09-02 WO disclosed
WO-2004074239-A1 ACYLATED AMINOPROPANEDIOLS AND ANALOGUES AND THERAPEUTIC USES THEREOF GENFIT (FR) 2004-09-02 WO disclosed
EP-0144825-B1 CYCLIC GUANIDINYL THIO CARBAPENEMS MERCK & CO. INC. (US) 1989-07-05 EP disclosed
US-4717728-A ANTIBIOTICS MERCK & CO., INC. (US) 1988-01-05 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 (4 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-20060069156-A1 Acylated aminopropanediols and analogues and therapeutic uses thereof AASDHPPT, ABAT, AADAC CA2 1988/4885CA1 611/4885CA9 3281/4885
US-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 CA2 583/4885CA1 1867/4885CA9 1801/4885
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f ASS1, SMURF1, SMURF2 CA2 4057/4885CA1 4831/4885CA9 4161/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 CA2 2518/4885CA1 2462/4885CA9 2540/4885

“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.