SCHEMBL14090794

SCHEMBL14090794

CCOC(=O)N=C(NCCC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(=O)O)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 6/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MME P08473 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ CTSK P43235 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
SCHEMBL14115687 1.00 C3AR1 (0.37) C3AR1KDM4EALDH1A1POLBTP53
SCHEMBL14146794 0.92 C3AR1 (0.33) C3AR1KDM4EALDH1A1POLBTP53
SCHEMBL14115690 0.89 C3AR1 (0.41) C3AR1KDM4EALDH1A1CNR2
SCHEMBL14090796 0.89 C3AR1 (0.41) C3AR1KDM4EALDH1A1CNR2
SCHEMBL14090798 0.88 C3AR1 (0.35) C3AR1KDM4EALDH1A1POLBTP53
SCHEMBL14115149 0.88 C3AR1 (0.35) C3AR1KDM4EALDH1A1POLBTP53
SCHEMBL14115720 0.88 C3AR1 (0.35) C3AR1KDM4EALDH1A1POLBTP53
SCHEMBL14090802 0.87 C3AR1 (0.40) C3AR1PDPK1MMEBRD4FOLH1
SCHEMBL4989549 0.82 C3AR1 (0.44) C3AR1
SCHEMBL4989542 0.82 C3AR1 (0.44) C3AR1

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
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 1/4885KDM4E 2635/4885ALDH1A1 1639/4885

“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.

Send feedback