SCHEMBL4429555

SCHEMBL4429555

O=C(O)c1ccc(C(c2cccs2)c2cccs2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.53
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
KEAP1 Q14145 1/20 0.45
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.38
ALOX15 P16050 1/20 0.38
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
ADRA1A P35348 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
SCHEMBL4429609 0.77 HDAC3 (0.47) KEAP1LMNAKDM4EALDH1A1GAA
SCHEMBL4432455 0.77 DAO (0.58) DAOKDM4EALDH1A1MEN1POLB
SCHEMBL1305502 0.74 CES2 (0.45) CES2CES1KEAP1ALDH1A1MAPT
SCHEMBL4433275 0.70 DAO (0.59) DAOPKMLIG1
SCHEMBL4432196 0.70 DAO (0.50) DAOKDM4EALDH1A1MEN1POLB
SCHEMBL2141423 0.70 DAO (0.64) DAOKDM4EALDH1A1GAAMEN1
SCHEMBL8630679 0.70 DAO (1.00) DAOKDM4EALDH1A1GAAMEN1
SCHEMBL1761399 0.69 ALDH1A1 (0.71) DAOLMNAKDM4EALDH1A1GLA
SCHEMBL4430958 0.69 DAO (0.53) DAOALDH1A1ALOX15HPGD
SCHEMBL4438845 0.69 DAO (0.53) DAOALDH1A1ADRA2CMAOAADRA1A

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 1635/4885CES2 3338/4885CES1 2506/4885

“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.