SCHEMBL4847121

SCHEMBL4847121

CC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 6/20 0.58
MMP1 P03956 5/20 0.58
CTSS P25774 2/20 0.58
CTSK P43235 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA3 P07451 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CACNA1C Q13936 1/20 0.58
SCN9A Q15858 1/20 0.58
CA9 Q16790 1/20 0.58
CA13 Q8N1Q1 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
MMP8 P22894 2/20 0.56
ANPEP P15144 1/20 0.56

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
SCHEMBL4847134 1.00 FCER2 (0.58) FCER2MMP1CTSSCTSKCA12
SCHEMBL25973070 0.87 CTSS (0.55) CTSSCTSKCTSLCTSBOPRD1
SCHEMBL24923400 0.87 CTSS (0.55) CTSSCTSKCTSLCTSBOPRD1
SCHEMBL14476767 0.86 CTSS (0.65) FCER2MMP1CTSSCTSKCA12
SCHEMBL11191376 0.86 ACE (0.56) CTSSCTSK
SCHEMBL11191380 0.86 ACE (0.56) CTSSCTSK
SCHEMBL18513842 0.86 CTSS (0.54) FCER2MMP1CTSSCTSKCTSL
SCHEMBL4847211 0.85 CA12 (0.60) FCER2MMP1CA12CA1CA2
SCHEMBL4847214 0.85 CA12 (0.60) FCER2MMP1CA12CA1CA2
SCHEMBL4853190 0.84 CA12 (0.62) FCER2MMP1CTSSCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317129-B2 Chemical synthesis of reagents for peptide coupling WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-01-08 US disclosed
EP-1534718-A4 CHEMICAL SYNTHESIS OF REAGENTS FOR PEPTIDE COUPLING WISCONSIN ALUMNI RES FOUND (US) 2006-06-07 EP disclosed
US-20060025578-A1 Phosphine-borane complexes in the formation of amide bonds between an amino acid, a peptide, or a protein; peptide ligation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-02-02 US disclosed
US-6974884-B2 Improved methods for synthesis of phosphinothiol reagents and novel protected reagents for use in peptide ligation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-12-13 US disclosed
EP-1534718-A1 CHEMICAL SYNTHESIS OF REAGENTS FOR PEPTIDE COUPLING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-06-01 EP disclosed
US-20040030105-A1 Chemical synthesis of reagents for peptide coupling NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-12 US disclosed
WO-2003104243-A1 CHEMICAL SYNTHESIS OF REAGENTS FOR PEPTIDE COUPLING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-12-18 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 (2 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-20060025578-A1 Phosphine-borane complexes in the formation of amide bonds between an amino acid, a peptide, or a protein; peptide ligation PTMS, BCAT1, PEBP1 FCER2 3554/4885MMP1 4488/4885CTSS 4422/4885
US-20040030105-A1 Chemical synthesis of reagents for peptide coupling PTMS, QPCT, BCAT1 FCER2 3540/4885MMP1 4314/4885CTSS 3599/4885

“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.