SCHEMBL4430958

SCHEMBL4430958

O=C(O)c1ccc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.53
C3AR1 Q16581 2/20 0.50
P2RY2 P41231 5/20 0.42
ALAD P13716 1/20 0.40
FFAR2 O15552 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL4433275 0.84 DAO (0.59) DAOC3AR1PTGDR2
SCHEMBL4432455 0.84 DAO (0.58) DAOC3AR1ALDH1A1HPGD
SCHEMBL4438845 0.83 DAO (0.53) DAOC3AR1ALDH1A1HPGD
SCHEMBL4437601 0.81 C3AR1 (0.54) DAOC3AR1ALDH1A1HPGDMRGPRX4
SCHEMBL4433839 0.77 HDAC3 (0.47) C3AR1ALDH1A1HPGD
SCHEMBL4432196 0.73 DAO (0.50) DAOALDH1A1HPGD
SCHEMBL4439617 0.71 DAO (0.51) DAOC3AR1PTGDR2CNR2
SCHEMBL6470934 0.70 HDAC3 (0.62) FFAR2ALDH1A1HPGD
SCHEMBL6461129 0.70 HDAC3 (0.62) FFAR2ALDH1A1HPGD
SCHEMBL2141423 0.70 DAO (0.64) DAOALDH1A1HPGD

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 DAO 1635/4885C3AR1 1/4885P2RY2 110/4885

“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.