SCHEMBL4995345

SCHEMBL4995345

N=C(N)NCCC[C@H](NC(=O)c1ccc(Cc2ccccc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.49
ALB P02768 2/20 0.48
PTPN1 P18031 2/20 0.47
FOLH1 Q04609 4/20 0.46
CA2 P00918 5/20 0.46
CA1 P00915 2/20 0.46
F10 P00742 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
TPSAB1 Q15661 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PADI6 Q6TGC4 1/20 0.43
PADI1 Q9ULC6 1/20 0.43
PADI3 Q9ULW8 1/20 0.43
PADI4 Q9UM07 1/20 0.43

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
SCHEMBL14090780 1.00 C3AR1 (0.49) C3AR1ALBPTPN1FOLH1CA2
SCHEMBL7925397 0.90 C3AR1 (0.52) C3AR1ALBFOLH1CA2CA1
SCHEMBL188589 0.90 C3AR1 (0.52) C3AR1ALBFOLH1CA2CA1
SCHEMBL188590 0.90 C3AR1 (0.52) C3AR1ALBFOLH1CA2CA1
SCHEMBL4987830 0.90 PRSS1 (0.48) C3AR1F10GRIN1GRIN2APADI6
SCHEMBL14090765 0.90 PRSS1 (0.48) C3AR1F10GRIN1GRIN2APADI6
SCHEMBL17104389 0.88 TPSAB1 (0.47) C3AR1ALBFOLH1CA2CA1
SCHEMBL17104397 0.88 FOLH1 (0.47) C3AR1ALBFOLH1CA2CA1
SCHEMBL17104379 0.88 FOLH1 (0.47) C3AR1ALBFOLH1CA2CA1
SCHEMBL17104386 0.88 TPSAB1 (0.47) C3AR1ALBFOLH1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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 (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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 C3AR1 1/4885ALB 1064/4885PTPN1 1471/4885

“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.