SCHEMBL4564122

SCHEMBL4564122

CN(CCN(Cc1cc(-n2nc(C(F)(F)F)cc2C(=O)O)ccc1F)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.43
F10 P00742 5/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
HTR2C P28335 3/20 0.37
SLC6A4 P31645 3/20 0.37
CARM1 Q86X55 2/20 0.37
HTR2A P28223 1/20 0.37
F2 P00734 1/20 0.36
F5 P12259 1/20 0.36
CTRB1 P17538 1/20 0.36
TRPV1 Q8NER1 2/20 0.35

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
SCHEMBL5067003 0.86 KLKB1 (0.56) KLKB1GRNSORT1CARM1
SCHEMBL5070550 0.83 KLKB1 (0.39) KLKB1F10GRNSORT1HTR2C
SCHEMBL5067482 0.83 PTGS2 (0.37) TRPV1
SCHEMBL5070410 0.78 KLKB1 (0.62) KLKB1F10GRNSORT1CARM1
SCHEMBL4563955 0.78 KLKB1 (0.34) KLKB1F10GRNSORT1HTR2C
SCHEMBL4586256 0.74 KLKB1 (0.65) KLKB1F10GRNSORT1CARM1
SCHEMBL14012677 0.74 CARM1 (0.63) CARM1
SCHEMBL5066980 0.71 CARM1 (0.53) CARM1
SCHEMBL5064185 0.70 CARM1 (0.44) CARM1
SCHEMBL4564148 0.70 PTGS2 (0.37) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 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 (1 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 KLKB1 4560/4885F10 4114/4885GRN 3587/4885

“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.