SCHEMBL4986396

SCHEMBL4986396

O=C(O)CC[C@H](NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.64
CA2 P00918 6/20 0.61
CA1 P00915 4/20 0.61
NAALAD2 Q9Y3Q0 2/20 0.58
FOLH1 Q04609 2/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ADAMTS4 O75173 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51

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
SCHEMBL97498 0.88 CA2 (0.67) CA2CA1NAALAD2FOLH1CA12
SCHEMBL698067 0.88 CA2 (0.67) CA2CA1NAALAD2FOLH1CA12
SCHEMBL715646 0.88 CA2 (0.67) CA2CA1NAALAD2FOLH1CA12
SCHEMBL27564186 0.88 CA2 (0.75) CA2CA1NAALAD2FOLH1CA12
SCHEMBL2252322 0.87 CA2 (0.66) CA2CA1NAALAD2FOLH1CA12
SCHEMBL8237305 0.87 CA2 (0.66) CA2CA1NAALAD2FOLH1CA12
SCHEMBL4618531 0.86 CA2 (0.65) CA2CA1NAALAD2FOLH1CA12
SCHEMBL28287497 0.86 CA2 (0.65) CA2CA1NAALAD2FOLH1CA12
Ammonia Solution, Strong SCHEMBL28375957 0.86 CA2 (0.65) CA2CA1NAALAD2FOLH1CA12
SCHEMBL28184998 0.86 CA2 (0.65) CA2CA1NAALAD2FOLH1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN 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 1/4885CA2 3182/4885CA1 3413/4885

“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.