Sugi Predict

Sugi Predict / Compounds / SCHEMBL4903628

SCHEMBL4903628

SCHEMBL4903628

COC(=O)c1cc(S(=O)(=O)NCCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ERBB2 P04626 1/20 0.44
▸ ERBB4 Q15303 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP14 P50281 1/20 0.39

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
SCHEMBL4904169 0.94 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4897453 0.92 AKR1C3 (0.46) ALDH1A1SMN1; SMN2ERBB2ERBB4AKR1C3
SCHEMBL4895638 0.90 ERBB2 (0.44) ALDH1A1SMN1; SMN2ERBB2ERBB4AKR1C3
SCHEMBL4899793 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4906408 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ERBB2ERBB4AKR1C3
SCHEMBL4904440 0.86 LTA4H (0.47) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4898037 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4907641 0.85 PPARA (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4905345 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ERBB2ERBB4AKR1C3
SCHEMBL4901782 0.85 TDP1 (0.47) ALDH1A1MEN1KMT2AFFAR4L3MBTL1

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 ALDH1A1 2664/4885SMN1; SMN2 3271/4885ERBB2 2286/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885SMN1; SMN2 3404/4885ERBB2 2776/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885SMN1; SMN2 3404/4885ERBB2 2776/4885

“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.