SCHEMBL5772658

SCHEMBL5772658

O=C(O)Cc1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.62
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.53

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
SCHEMBL5776880 0.91 LMNA (0.59) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL6357532 0.90 HTT (0.58) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL5749330 0.90 THRB (0.58) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL5749547 0.87 MEN1 (0.54) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL5797319 0.87 PTPN11 (0.53) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL5749603 0.85 PTPN11 (0.59) PTPN11ALDH1A1LMNAPKMMEN1
SCHEMBL5749033 0.85 HDAC3 (0.56) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL5749068 0.84 MAPT (0.55) PTPN11ALDH1A1LMNAPKMMEN1
SCHEMBL5772884 0.84 ALDH1A1 (0.57) PTPN11ALDH1A1LMNAPKMHTT
SCHEMBL5746076 0.84 LMNA (0.69) PTPN11ALDH1A1LMNAHTTMEN1

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 PTPN11 379/4885HDAC3 215/4885HDAC4 563/4885

“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.