SCHEMBL806002

SCHEMBL806002

CCCN(C)CCS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NLRP3 Q96P20 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL24438183 0.86 CA1 (0.37) CA1CA12CA2CA14NLRP3
SCHEMBL12853799 0.82 NLRP3 (0.33) CA1NLRP3
SCHEMBL806001 0.82 CA1 (0.42) CA1CA12CA2CA14KDM5A
SCHEMBL5541333 0.80 NLRP3 (0.32) NLRP3
SCHEMBL20356310 0.79 SIGMAR1 (0.32) CA1CA12CA2CA14SIGMAR1
SCHEMBL18251551 0.78 LTA4H (0.40) NLRP3
SCHEMBL5541341 0.78 MAPT (0.38) NLRP3
SCHEMBL14221733 0.78 LTA4H (0.40) CA1CA12CA2CA14KDM5A
SCHEMBL1219869 0.78 NLRP3 (0.31) NLRP3
SCHEMBL14624060 0.76 LTA4H (0.39) CA1CA12CA2CA14KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235884-A1 COMPOSITIONS AND METHODS FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2023-12-07 WO disclosed
US-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-10-19 US disclosed
US-9802921-B2 Fluoromethyl-substituted pyrrole carboxamides iv GRUENENTHAL GMBH (DE) 2017-10-31 US disclosed
US-9765091-B2 Tetrahydropyrazolo [3,4-b] azepine derivatives and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2017-09-19 US disclosed
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV GRUENENTHAL GMBH (DE) 2016-10-13 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-10-10 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (8 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CA1 4780/4885CA12 3912/4885CA2 3271/4885
US-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY CALCR, BCR, PTH1R CA1 1267/4885CA12 981/4885CA2 1346/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR CA1 4108/4885CA12 3160/4885CA2 2295/4885
US-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRIK4 CA1 3871/4885CA12 4702/4885CA2 2113/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CA1 4067/4885CA12 4365/4885CA2 1880/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET CA1 4476/4885CA12 4302/4885CA2 2075/4885
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV TRPV1, CACNA1B, CACNA1I CA1 1112/4885CA12 2968/4885CA2 185/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET CA1 4476/4885CA12 4302/4885CA2 2075/4885

“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.