SCHEMBL4993250

SCHEMBL4993250

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.51
C3AR1 Q16581 8/20 0.50
HDAC6 Q9UBN7 2/20 0.43
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL4430968 0.88 C3AR1 (0.52) HPGDSC3AR1HDAC6MMP12MMP13
SCHEMBL14147012 0.83 HPGDS (0.49) HPGDSC3AR1HDAC6HDAC4HDAC1
SCHEMBL4553739 0.82 C3AR1 (0.45) HPGDSC3AR1HDAC6MMP12MMP13
SCHEMBL4430789 0.78 C3AR1 (0.42) C3AR1HDAC6MMP12MMP13HDAC4
SCHEMBL4432247 0.77 C3AR1 (0.47) HPGDSC3AR1HDAC6MMP12MMP13
SCHEMBL4992924 0.73 C3AR1 (0.43) C3AR1HDAC6MMP12MMP13HDAC4
SCHEMBL27772085 0.72 C3AR1 (0.69) C3AR1HDAC4HDAC1HDAC3
SCHEMBL4432520 0.72 C3AR1 (0.69) C3AR1CA1CA2
SCHEMBL27793147 0.71 C3AR1 (0.50) HPGDSC3AR1HDAC6HDAC4HDAC1
SCHEMBL27793044 0.71 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 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 HPGDS 915/4885C3AR1 1/4885HDAC6 4809/4885

“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.