Sugi Predict

Sugi Predict / Compounds / SCHEMBL4900715

SCHEMBL4900715

SCHEMBL4900715

CCN(c1coc(-c2ccc(C(C)(C)C)cc2)n1)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ NR1I2 O75469 3/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL4906847 0.92 ALDH1A1 (0.38) ALDH1A1TSHRPPARGPPARAHDAC3
SCHEMBL4906002 0.91 ALDH1A1 (0.39) ALDH1A1TSHRPPARGPPARANR1I2
SCHEMBL4897582 0.91 LMNA (0.40) ALDH1A1PPARGPPARAHDAC3HDAC11
SCHEMBL4895724 0.90 PPARG (0.38) ALDH1A1TSHRPPARGPPARANR1I2
SCHEMBL4902469 0.89 ALDH1A1 (0.39) ALDH1A1TSHRPPARGPPARAHDAC3
SCHEMBL4904572 0.84 PPARG (0.44) ALDH1A1TSHRPPARGPPARANR1I2
SCHEMBL4899823 0.84 LMNA (0.40) ALDH1A1PPARGPPARAHDAC3HDAC11
SCHEMBL4903608 0.83 PPARG (0.41) ALDH1A1TSHRPPARGPPARAHDAC3
SCHEMBL4908323 0.83 NR1I2 (0.40) ALDH1A1TSHRPPARGPPARANR1I2
SCHEMBL4906508 0.83 LMNA (0.41) ALDH1A1TSHRPPARGPPARAHDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 — — US disclosed
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 — — EP disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 — — US disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 — — WO disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 — — 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 (3 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD ALDH1A1 2664/4885TSHR 412/4885PPARG 2/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885PPARG 2/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885PPARG 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.