SCHEMBL4994313

SCHEMBL4994313

CCOC(=O)NC(=S)NCC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ CYP26A1 O43174 1/20 0.32

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
SCHEMBL4986631 0.95 FOLH1 (0.38) C3AR1ALDH1A1POLBBRD4ALOX12
SCHEMBL14090894 0.94 ALDH1A1 (0.35) ALDH1A1POLBBRD4ALOX12SIRT2
SCHEMBL14090913 0.86 NPSR1 (0.41) ALDH1A1POLBKDM4E
SCHEMBL4430961 0.85 C3AR1 (0.37) C3AR1ALDH1A1BRD4ITGB1ITGA4
SCHEMBL14090798 0.81 C3AR1 (0.35) C3AR1ALDH1A1POLBBRD4ITGB1
SCHEMBL4553810 0.81 C3AR1 (0.39) C3AR1ALDH1A1POLBBRD4MMP8
SCHEMBL14115149 0.81 C3AR1 (0.35) C3AR1ALDH1A1POLBBRD4ITGB1
SCHEMBL4553808 0.81 C3AR1 (0.39) C3AR1ALDH1A1POLBBRD4MMP8
SCHEMBL14115720 0.81 C3AR1 (0.35) C3AR1ALDH1A1POLBBRD4ITGB1
SCHEMBL4987802 0.81 NPSR1 (0.40) C3AR1ALDH1A1POLBKDM4E

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 1 patent. 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

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 1/4885ALDH1A1 1639/4885POLB 4248/4885

“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.

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