SCHEMBL4818937

SCHEMBL4818937

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.71
HDAC8 Q9BY41 8/20 0.71
HDAC3 O15379 7/20 0.71
HDAC4 P56524 7/20 0.71
HDAC7 Q8WUI4 7/20 0.71
HDAC2 Q92769 7/20 0.71
HDAC10 Q969S8 7/20 0.71
HDAC11 Q96DB2 7/20 0.71
HDAC6 Q9UBN7 7/20 0.71
HDAC9 Q9UKV0 7/20 0.71
HDAC5 Q9UQL6 7/20 0.71
FFAR4 Q5NUL3 2/20 0.52
SERPINE1 P05121 1/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
NHERF1 O14745 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4814116 1.00 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4816960 0.88 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14408109 0.88 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8276109 0.86 HDAC1 (0.81) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14408105 0.84 HDAC1 (0.81) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4818569 0.83 HDAC3 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4819218 0.83 HDAC3 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6026901 0.83 HDAC1 (0.65) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4806773 0.83 HDAC1 (0.72) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL4814781 0.83 HDAC1 (0.72) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100251-A1 Substituted phenylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-05-11 US claimed
US-7381749-B2 Sulfonamides as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-06-03 US disclosed
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-7271195-B2 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2007-09-18 US disclosed
US-7271195-B2 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2007-09-18 US disclosed
US-7271195-B2 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2007-09-18 US disclosed
EP-1805136-A1 SUBSTITUTED PHENYLALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP disclosed
EP-1773398-A2 NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-04-18 EP disclosed
CN-1798733-A Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS INC (US) 2006-07-05 CN disclosed
WO-2006050097-A1 SUBSTITUTED PHENYLALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-11 WO disclosed
US-20060100251-A1 Substituted phenylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-05-11 US disclosed
EP-1635800-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2006-03-22 EP disclosed
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP disclosed
US-20060030554-A1 Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. 2006-02-09 US disclosed
WO-2005120515-A2 NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-22 WO disclosed
US-20050026907-A1 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2005-02-03 US disclosed
WO-2004110418-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2004-12-23 WO disclosed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US disclosed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 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 (4 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
US-20050026907-A1 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC5, HDAC1 HDAC1 3/4885HDAC8 11/4885HDAC3 4/4885
US-20060100251-A1 Substituted phenylalkanoic acids PTPRJ, PTP4A1, PTPN1 HDAC1 3343/4885HDAC8 4251/4885HDAC3 2986/4885
US-20060030554-A1 Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC3, HDAC5 HDAC1 4/4885HDAC8 8/4885HDAC3 2/4885

“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.