SCHEMBL4989463

SCHEMBL4989463

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 6/20 0.46
ROCK2 O75116 3/20 0.43
HPGDS O60760 4/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MAPK13 O15264 1/20 0.37
RPS6KA5 O75582 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 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
SCHEMBL4989884 0.89 C3AR1 (0.47) C3AR1ROCK2HPGDSHDAC3HDAC4
SCHEMBL14090971 0.86 C3AR1 (0.41) C3AR1ROCK2HPGDSRXFP1HDAC3
SCHEMBL14147012 0.85 HPGDS (0.49) C3AR1ROCK2HPGDSHDAC3HDAC4
SCHEMBL4989589 0.78 C3AR1 (0.47) C3AR1ROCK2HPGDSHDAC3HDAC4
SCHEMBL4553739 0.75 C3AR1 (0.45) C3AR1HPGDSTP53MAPTSMN1; SMN2
SCHEMBL4430789 0.72 C3AR1 (0.42) C3AR1RXFP1HDAC3HDAC4HDAC1
SCHEMBL11095520 0.71 MEN1 (0.49) MAPTHDAC1HDAC6
SCHEMBL4993250 0.69 HPGDS (0.51) C3AR1HPGDSHDAC3HDAC4HDAC1
SCHEMBL27793044 0.69 C3AR1 (0.74) C3AR1
SCHEMBL4425908 0.69 C3AR1 (0.74) C3AR1

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 1 patent. 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

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 1/4885ROCK2 2946/4885HPGDS 915/4885

“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.