SCHEMBL4428267

SCHEMBL4428267

CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 7/20 0.37
POLB P06746 5/20 0.37
RECQL P46063 3/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PAX8 Q06710 1/20 0.37
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 2/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.35

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
SCHEMBL14090888 0.92 CNR2 (0.39) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL14090988 0.92 ALOX5 (0.38) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL14090912 0.89 CTSK (0.48) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL14090992 0.89 NPSR1 (0.41) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4993247 0.89 NPSR1 (0.40) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4993253 0.89 NPSR1 (0.40) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL27772273 0.89 P2RY12 (0.39) KMT2A
SCHEMBL27772099 0.86 P2RY12 (0.41) CTSKNAALAD2
SCHEMBL14090986 0.86 NPSR1 (0.44) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL14090990 0.86 NPSR1 (0.40) NPSR1MEN1KMT2AALDH1A1MAPT

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 NPSR1 474/4885MEN1 2114/4885KMT2A 2978/4885

“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.