SCHEMBL4553739

SCHEMBL4553739

CC(=N)Nc1cccc([C@H](NC(=O)c2ccc(C(c3ccccc3)c3ccccc3)s2)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 8/20 0.45
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HPGDS O60760 3/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
FADS1 O60427 1/20 0.37

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
SCHEMBL4432247 0.89 C3AR1 (0.47) C3AR1HDAC6HDAC3HDAC4HDAC1
SCHEMBL4430789 0.85 C3AR1 (0.42) C3AR1HDAC6HDAC3HDAC4HDAC1
SCHEMBL4993250 0.82 HPGDS (0.51) C3AR1HDAC6HDAC3HDAC4HDAC1
SCHEMBL4430968 0.77 C3AR1 (0.52) C3AR1HDAC6HDAC3HDAC4HDAC1
SCHEMBL4989463 0.75 C3AR1 (0.46) C3AR1HDAC6HDAC3HDAC4HDAC1
SCHEMBL4992924 0.74 C3AR1 (0.43) C3AR1HDAC6HDAC3HDAC4HDAC1
SCHEMBL14147066 0.73 FADS1 (0.36) HDAC6TP53RXFP1FADS1
SCHEMBL10664749 0.72 MEN1 (0.41) FADS1
SCHEMBL27793147 0.71 C3AR1 (0.50) C3AR1HDAC6HDAC3HDAC4HDAC1
SCHEMBL14090971 0.71 C3AR1 (0.41) C3AR1HDAC6HDAC3HDAC4HDAC1

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
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
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 1/4885HDAC6 4809/4885HDAC3 3625/4885

“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.