SCHEMBL830136

SCHEMBL830136

NS(=O)(=O)c1cc2ccccc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 1.00
CA9 Q16790 16/20 1.00
CA2 P00918 16/20 1.00
CA12 O43570 15/20 1.00
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
TYR P14679 1/20 0.58
DAO P14920 1/20 0.58
AKR1B1 P15121 1/20 0.58
HPGD P15428 1/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
Furan SCHEMBL1680246 0.92 CA1 (0.85) CA1CA9CA2CA12KDM4E
SCHEMBL830181 0.85 CA12 (0.74) CA1CA9CA2CA12KDM4E
SCHEMBL22273887 0.82 CA12 (0.70) CA1CA9CA2CA12KDM4E
SCHEMBL831132 0.82 CA12 (0.70) CA1CA9CA2CA12KDM4E
SCHEMBL1047082 0.82 CA12 (0.70) CA1CA9CA2CA12KDM4E
Chalcone SCHEMBL22273862 0.80 CA9 (0.64) CA1CA9CA2CA12
SCHEMBL852142 0.79 CA12 (0.69) CA1CA9CA2CA12NPSR1
SCHEMBL20435590 0.79 KDM4E (0.78) CA1CA9CA2CA12KDM4E
SCHEMBL27792013 0.78 CA12 (1.00) CA1CA9CA2CA12NPSR1
SCHEMBL30719342 0.78 CA12 (0.64) CA1CA9CA2CA12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730885-B1 Coumarin derivatives KING SAUD UNIVERSITY (SA) 2020-08-04 US claimed
CN-117384144-A Method for preparing coumarin derivative by photocatalysis three components and application thereof 浙江工业大学 2024-01-12 CN disclosed
CN-117384144-A Method for preparing coumarin derivative by photocatalysis three components and application thereof 浙江工业大学 2024-01-12 CN disclosed
CN-114751885-B Coumarin compound containing isopropanolamine structure and preparation method and application thereof 贵州大学 2023-08-08 CN disclosed
US-10730885-B1 Coumarin derivatives KING SAUD UNIVERSITY (SA) 2020-08-04 US disclosed
US-10730885-B1 Coumarin derivatives KING SAUD UNIVERSITY (SA) 2020-08-04 US disclosed
US-9611258-B2 Dual MEK/PI3K inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 US disclosed
EP-2968345-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
US-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-01-07 US disclosed
WO-2014164942-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-7563902-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-07-21 US disclosed
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US disclosed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP disclosed
US-20060172358-A1 Novel chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-08-03 US disclosed
EP-1651958-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE Roche Diagnostics GmbH (DE) 2006-05-03 EP disclosed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 WO disclosed
WO-2005015215-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2005-02-17 WO disclosed
EP-1093379-A2 USE OF INHIBITORS OF PROTEIN KINASE C EPSILON TO TREAT PAIN Messing, Robert O. (US) 2001-04-25 EP disclosed
WO-2000001415-A2 USE OF INHIBITORS OF PROTEIN KINASE C EPSILON TO TREAT PAIN MESSING ROBERT O (US) 2000-01-13 WO disclosed
WO-1994009775-A1 NOVEL FURO-COUMARINSULFONAMIDES AS PROTEIN KINASE C INHIBITORS SPHINX PHARMACEUTICALS CORPORATION (US) 1994-05-11 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 (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-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME MAP2K2, MAP2K1, MAP2K7 CA1 4589/4885CA9 3040/4885CA2 3463/4885
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 CA1 3859/4885CA9 1884/4885CA2 2552/4885
US-10730885-B1 Coumarin derivatives CBR3, KCNH1, CBR1 CA1 1883/4885CA9 1053/4885CA2 186/4885
US-20060172358-A1 Novel chemiluminescent compounds and their use LANCL1, LPO, HLCS CA1 1660/4885CA9 1112/4885CA2 3061/4885

“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.