SCHEMBL4439617

SCHEMBL4439617

O=C(O)c1ccc(C(c2cccc(F)c2)c2cccc(F)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.51
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CNR2 P34972 1/20 0.40
C3AR1 Q16581 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL27143625 0.85 DAO (0.49) DAOHDAC4HDAC7HDAC5CES2
SCHEMBL4433275 0.82 DAO (0.59) DAOHDAC4HDAC7HDAC5C3AR1
SCHEMBL4432455 0.82 DAO (0.58) DAOC3AR1MEN1POLBRAB9A
SCHEMBL4437601 0.82 C3AR1 (0.54) DAOC3AR1MEN1POLBRAB9A
SCHEMBL4437624 0.81 DAO (0.47) DAOCES2MEN1POLBKMT2A
SCHEMBL4427307 0.80 HDAC3 (0.46) HDAC4MEN1POLBRAB9AKMT2A
SCHEMBL4431891 0.75 C3AR1 (0.60) C3AR1
SCHEMBL27141877 0.73 RPS6KB1 (0.42) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL4430958 0.71 DAO (0.53) DAOCNR2C3AR1PTGDR2
SCHEMBL4438845 0.71 DAO (0.53) DAOC3AR1

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 1635/4885HDAC4 4521/4885HDAC7 4472/4885

“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.