SCHEMBL5043098

SCHEMBL5043098

O=C(CC(Cc1ccc(C(F)(F)F)cc1)(C(=O)O)C(=O)O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC3 O15379 4/20 0.56
HDAC4 P56524 4/20 0.56
HDAC7 Q8WUI4 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC11 Q96DB2 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56
SERPINE1 P05121 3/20 0.51
AR P10275 1/20 0.50
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
SCN3A Q9NY46 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NAMPT P43490 1/20 0.42
CACNA1H O95180 1/20 0.42

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
SCHEMBL26536541 0.79 FFAR4 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3559870 0.76 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4816960 0.76 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4814116 0.76 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14408109 0.76 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4818937 0.76 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8276109 0.75 HDAC1 (0.81) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14408105 0.73 HDAC1 (0.81) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3558002 0.73 HDAC3 (0.60) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4818569 0.72 HDAC3 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7

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
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US claimed
EP-1633354-B1 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES INST FOR PHARM DISCOVERY INC (US) 2008-01-23 EP disclosed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US 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-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes PTP4A1, PTPRJ, PPM1B HDAC1 3047/4885HDAC8 4323/4885HDAC3 2966/4885

“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.