SCHEMBL6175675

SCHEMBL6175675

COC(COS(=O)(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL16488392 0.75
SCHEMBL19408665 0.75
SCHEMBL11964810 0.75
SCHEMBL31672998 0.74 GABRR1 (0.38)
SCHEMBL3795520 0.73 PPARG (0.36) SLC1A3SLC1A2SLC1A1
SCHEMBL6037154 0.71 PGK1 (0.45)
SCHEMBL12227795 0.71 CA1 (0.34)
SCHEMBL15868134 0.71 CA2 (0.42) SLC1A3SLC1A2SLC1A1
SCHEMBL2289857 0.70 PTGS1 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL4314030 0.70 PTGS1 (0.41) SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038404-A1 MACROCYCLIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH 2015-02-05 US disclosed
WO-2013130358-A1 MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-09-06 WO disclosed
US-6939565-B2 Protease inhibitors of the coagulation cascade isolated from Dysidea sponges PHARMACIA CORPORATION (US) 2005-09-06 US disclosed
EP-1465866-A4 PROTEASE INHIBITORS OF THE COAGULATION CASCADE ISOLATED FROM DYSIDEA SPONGES PHARMACIA CORP (US) 2005-01-26 EP disclosed
EP-1465866-A2 PROTEASE INHIBITORS OF THE COAGULATION CASCADE ISOLATED FROM DYSIDEA SPONGES Pharmacia Corporation (US) 2004-10-13 EP disclosed
US-20040147456-A1 Protease inhibitors of the coagulation cascade isolated from Dysidea sponges PHARMACIA CORPORATION 2004-07-29 US disclosed
US-6716869-B2 N-(2-(1-AMIDINOPYRROL-3-YL)ETHYL)-5,6-DIHYDROXY-1-(2-(2-METHOX Y-3-SULFATOPROPIONYLAMINO)-3-CHLORO-4-METHYLVALEROYL)INDOLE-2-CARBOXAMIDE PHARMACIA CORPORATION 2004-04-06 US disclosed
US-20030158248-A1 Protease inhibitors of the coagulation cascade isolated from dysidea sponges PHARMACIA CORPORATION 2003-08-21 US disclosed
WO-2003051831-A2 PROTEASE INHIBITORS OF THE COAGULATION CASCADE ISOLATED FROM DYSIDEA SPONGES PHARMACIA CORPORATION (US) 2003-06-26 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 (3 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-20040147456-A1 Protease inhibitors of the coagulation cascade isolated from Dysidea sponges TFPI, TFPI2, HABP2 SLC1A3 4846/4885SLC1A2 4870/4885SLC1A1 4847/4885
US-20030158248-A1 Protease inhibitors of the coagulation cascade isolated from dysidea sponges TFPI, TFPI2, HABP2 SLC1A3 4846/4885SLC1A2 4870/4885SLC1A1 4847/4885
US-20150038404-A1 MACROCYCLIC COMPOUNDS SERPINB1, ELANE, CELA1 SLC1A3 4431/4885SLC1A2 4709/4885SLC1A1 4544/4885

“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.