SCHEMBL4437624

SCHEMBL4437624

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
ACP3 P15309 2/20 0.46
CES2 O00748 2/20 0.46
PNMT P11086 1/20 0.42
SRD5A2 P31213 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A9 P48067 1/20 0.39
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 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
SCHEMBL4429614 0.81 HDAC3 (0.49) CES2PNMTALDH1A1HPGDSMN1; SMN2
SCHEMBL4439617 0.81 DAO (0.51) DAOCES2EPHX1MEN1POLB
SCHEMBL4432455 0.78 DAO (0.58) DAOALDH1A1HPGDMEN1CYP1A2
SCHEMBL4437601 0.78 C3AR1 (0.54) DAOACP3ALDH1A1HPGDMEN1
SCHEMBL4437694 0.77 C3AR1 (0.58)
SCHEMBL1988233 0.74 HPGDS (0.65) DAOALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4086256 0.73 PNMT (0.58) DAOACP3CES2PNMTALDH1A1
SCHEMBL4433275 0.72 DAO (0.59) DAO
SCHEMBL13357679 0.71 IDO1 (0.59) ACP3CES2PNMTALDH1A1IDO1
SCHEMBL18952889 0.71 CES2 (0.57) ACP3CES2PNMTSRD5A2ALDH1A1

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 1635/4885ACP3 2066/4885CES2 3338/4885

“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.