SCHEMBL4433286

SCHEMBL4433286

CCOC(=O)c1ccc(C(c2ccc(F)cc2)c2ccc(F)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPK14 Q16539 1/20 0.44
C3AR1 Q16581 1/20 0.44
KDM4E B2RXH2 7/20 0.43
MAPT P10636 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GRM6 O15303 1/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.42
CASP3 P42574 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41

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
SCHEMBL4438064 0.89 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6KDM4E
SCHEMBL4433839 0.86 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6C3AR1
SCHEMBL4433269 0.86 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6C3AR1
SCHEMBL4427307 0.84 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6MAPK14
SCHEMBL15573915 0.79 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC6MAPK14
SCHEMBL4433275 0.79 DAO (0.59) HDAC3HDAC4HDAC1HDAC6MAPK14
SCHEMBL2659791 0.78 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6MAPK14
SCHEMBL2653062 0.78 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6MAPK14
SCHEMBL14328431 0.77 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC6KDM4E
SCHEMBL4429427 0.76 C3AR1 (0.48) HDAC3HDAC4HDAC1HDAC6C3AR1

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 HDAC3 3625/4885HDAC4 4521/4885HDAC1 4373/4885

“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.