SCHEMBL4428055

SCHEMBL4428055

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.52
ADAMTS4 O75173 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MMP12 P39900 2/20 0.47
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
C3AR1 Q16581 1/20 0.47
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
P2RY12 Q9H244 2/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL27772192 1.00 ADAMTS5 (0.52) ADAMTS5ADAMTS4TDP1LMNAHSD17B10
SCHEMBL4429641 0.91 C3AR1 (0.45) ADAMTS5ADAMTS4TDP1C3AR1HDAC6
SCHEMBL27792991 0.87 ADAMTS5 (0.48) ADAMTS5ADAMTS4TDP1LMNAHSD17B10
SCHEMBL7742625 0.85 ADAMTS5 (0.50) ADAMTS5ADAMTS4TDP1LMNAHSD17B10
SCHEMBL7742623 0.85 ADAMTS5 (0.50) ADAMTS5ADAMTS4TDP1LMNAHSD17B10
SCHEMBL13598111 0.85 ADAMTS5 (0.50) ADAMTS5ADAMTS4TDP1LMNAHSD17B10
SCHEMBL14090969 0.84 NPSR1 (0.42) ADAMTS5ADAMTS4TDP1C3AR1HDAC6
SCHEMBL27793117 0.84 C3AR1 (0.43) TDP1C3AR1HDAC6HDAC1HDAC8
SCHEMBL4986396 0.82 C3AR1 (0.64) ADAMTS5ADAMTS4TDP1LMNAHSD17B10
SCHEMBL4438829 0.81 C3AR1 (0.52) ADAMTS5ADAMTS4C3AR1HDAC1MAPT

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 5 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
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP 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
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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 (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 ADAMTS5 911/4885ADAMTS4 905/4885TDP1 3947/4885

“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.