SCHEMBL5749033

SCHEMBL5749033

O=C(O)Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HSD11B1 P28845 2/20 0.50
CNR1 P21554 1/20 0.50
PTPN11 Q06124 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49

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
SCHEMBL5799614 0.88 ALDH1A1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6357532 0.86 HTT (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5746151 0.86 L3MBTL1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5747349 0.85 GAA (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5772658 0.85 PTPN11 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5776880 0.85 LMNA (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5746076 0.85 LMNA (0.69) ALDH1A1PTPN11KDM4ELMNAKMT2A
SCHEMBL5747135 0.84 GAA (0.63) SMN1; SMN2ALDH1A1LMNAKMT2AMCOLN3
SCHEMBL5749330 0.84 THRB (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5772886 0.83 LMNA (0.69) SMN1; SMN2KDM4ELMNAKMT2AMCOLN3

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-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD HDAC3 215/4885HDAC4 563/4885HDAC1 773/4885

“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.