SCHEMBL12263256

SCHEMBL12263256

COc1csnc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA3 P07451 1/20 0.41
PKM P14618 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TPMT P51580 2/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL12263255 0.83 NPSR1 (0.46) TDP1CA1CA2PKMKDM4E
SCHEMBL16571310 0.77 HSD17B2 (0.44) KDM4EALDH1A1HTTLMNARAB9A
SCHEMBL4595000 0.76
SCHEMBL17933985 0.75 PRSS1 (0.35) TDP1CA12CA1CA2CA7
SCHEMBL5883960 0.73
SCHEMBL3482652 0.73 TDP1 (0.57) TDP1KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL13226874 0.72 TDP1 (0.52) TDP1KDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL3517467 0.71
SCHEMBL29154146 0.71
SCHEMBL27439656 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025038863-A1 INDOLE AND PYRROLOYPYRIDINE DERIVATIVES AS GPR17 MODULATORS BIOGEN MA INC. (US) 2025-02-20 WO disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 EP disclosed
EP-1745032-B1 CXCR1 and CXCR2 chemokine antagonists MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
EP-1485089-B1 COMBINATION TREATMENTS FOR CHEMOKINE-MEDIATED DISEASES MERCK SHARP & DOHME (US) 2013-04-17 EP disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7960433-B2 Treatment of chemokine mediated diseases SCHERING CORPORATION (US) 2011-06-14 US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
US-7326729-B2 CXCR1 and CXCR2 chemokine antagonists SCHERING CORPORATION (US) 2008-02-05 US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS SCHERING CORPORATION 2007-10-25 US disclosed
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS SCHERING CORPORATION 2007-10-25 US disclosed
US-20070155756-A1 Treatment of chemokine mediated diseases SCHERING CORPORATION 2007-07-05 US disclosed
US-20070155756-A1 Treatment of chemokine mediated diseases SCHERING CORPORATION 2007-07-05 US disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 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 (5 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-20070155756-A1 Treatment of chemokine mediated diseases CXCR3, ACKR3, CCL11 TDP1 4241/4885CA12 1925/4885CA1 3199/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 TDP1 4014/4885CA12 1004/4885CA1 1583/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 TDP1 4014/4885CA12 1004/4885CA1 1583/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 TDP1 3710/4885CA12 2437/4885CA1 1281/4885
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS CXCR1, CXCR2, CXCR5 TDP1 3900/4885CA12 2615/4885CA1 2319/4885

“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.