SCHEMBL4906713

SCHEMBL4906713

COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)cc2)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
CA9 Q16790 1/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL4899834 0.92 LMNA (0.60) TDP1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL4909535 0.89 TDP1 (0.57) TDP1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL4902606 0.85 TDP1 (0.51) TDP1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL4903029 0.82 TDP1 (0.50) TDP1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL4895501 0.82 LMNA (0.58) TDP1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL4907392 0.81 TDP1 (0.47) TDP1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL4911881 0.80 PHGDH (0.43) TDP1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL4905124 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL5375256 0.80 SMN1; SMN2 (0.62) ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL5380693 0.79 POLB (0.62) MEN1KMT2ASMN1; SMN2POLB

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
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US 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 TDP1 3363/4885NPSR1 773/4885ALDH1A1 2664/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD TDP1 3653/4885NPSR1 735/4885ALDH1A1 2956/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD TDP1 3653/4885NPSR1 735/4885ALDH1A1 2956/4885

“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.