SCHEMBL4430968

SCHEMBL4430968

Nc1ccc([C@H](NC(=O)c2ccc(C(c3ccccc3)c3ccccc3)s2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 8/20 0.52
MMP12 P39900 3/20 0.44
MMP13 P45452 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC6 Q9UBN7 4/20 0.42
HPGDS O60760 2/20 0.42
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL4993250 0.88 HPGDS (0.51) C3AR1MMP12MMP13CA1CA2
SCHEMBL4432247 0.83 C3AR1 (0.47) C3AR1MMP12MMP13CA1CA2
SCHEMBL4992924 0.79 C3AR1 (0.43) C3AR1MMP12MMP13CA1CA2
SCHEMBL4553739 0.77 C3AR1 (0.45) C3AR1MMP12MMP13HDAC4HDAC1
SCHEMBL3429658 0.75 F10 (0.50) MMP12MMP13CA1CA2HDAC4
SCHEMBL3429653 0.75 F10 (0.50) MMP12MMP13CA1CA2HDAC4
SCHEMBL27772085 0.73 C3AR1 (0.69) C3AR1HDAC4HDAC1HDAC3
SCHEMBL4432520 0.73 C3AR1 (0.69) C3AR1CA1CA2
SCHEMBL14147012 0.73 HPGDS (0.49) C3AR1HDAC4HDAC1HDAC3HDAC6
SCHEMBL27793147 0.73 C3AR1 (0.50) C3AR1HDAC4HDAC1HDAC3HDAC6

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 3 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
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 1/4885MMP12 2929/4885MMP13 3125/4885

“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.