SCHEMBL4995049

SCHEMBL4995049

N=C(N)NCCC[C@H](NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ PDPK1 O15530 4/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ BRD4 O60885 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.44
▸ BRD2 P25440 1/20 0.44
▸ BRD3 Q15059 1/20 0.44
▸ BRDT Q58F21 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL4989795 0.92 C3AR1 (0.56) C3AR1KMT2AMEN1MAPTKDM4E
SCHEMBL14090758 0.92 C3AR1 (0.56) C3AR1KMT2AMEN1MAPTKDM4E
SCHEMBL4989846 0.92 C3AR1 (0.56) C3AR1KMT2AMEN1MAPTKDM4E
SCHEMBL4994923 0.91 KMT2A (0.52) C3AR1KMT2AMEN1MAPTKDM4E
SCHEMBL4993499 0.91 C3AR1 (0.55) C3AR1KMT2AMEN1MAPTKDM4E
SCHEMBL4992975 0.90 C3AR1 (0.51) C3AR1KMT2AMEN1MAPTKDM4E
SCHEMBL4996707 0.90 C3AR1 (0.51) C3AR1KMT2AMEN1MAPTKDM4E
SCHEMBL4996823 0.90 C3AR1 (0.53) C3AR1MAPTKDM4EPOLBRXFP1
SCHEMBL4996606 0.90 C3AR1 (0.49) C3AR1KMT2AMEN1MAPTKDM4E
SCHEMBL4994343 0.89 C3AR1 (0.53) C3AR1KMT2AMEN1MAPTKDM4E

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
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
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 1/4885KMT2A 2978/4885MEN1 2114/4885

“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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