SCHEMBL4438829

SCHEMBL4438829

CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 8/20 0.52
P2RY2 P41231 1/20 0.41
NPSR1 Q6W5P4 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 5/20 0.39
POLB P06746 4/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL27792997 0.88 C3AR1 (0.48) C3AR1HDAC3HDAC4HDAC1ADAMTS4
SCHEMBL4432520 0.84 C3AR1 (0.69) C3AR1
SCHEMBL27793143 0.84 C3AR1 (0.53) C3AR1P2RY2NPSR1MEN1KMT2A
SCHEMBL27793048 0.82 C3AR1 (0.63) C3AR1
SCHEMBL27793047 0.82 C3AR1 (0.63) C3AR1
SCHEMBL27772192 0.81 ADAMTS5 (0.52) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL4428055 0.81 ADAMTS5 (0.52) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL14090944 0.81 C3AR1 (0.52) C3AR1P2RY2NPSR1MEN1KMT2A
SCHEMBL4439638 0.79 C3AR1 (0.52) C3AR1
SCHEMBL4428307 0.78 C3AR1 (0.61) C3AR1NPSR1MEN1KMT2AALDH1A1

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 4 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
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 C3AR1 1/4885P2RY2 110/4885NPSR1 474/4885

“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.