Sugi Predict

Sugi Predict / Compounds / SCHEMBL5879641

SCHEMBL5879641

SCHEMBL5879641

O=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.69
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ HSD17B3 P37058 1/20 0.47
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ENPP3 O14638 2/20 0.40
▸ ENPP1 P22413 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL5879760 0.87 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1HSD11B1HSD17B3
SCHEMBL5879808 0.85 LMNA (0.53) ALDH1A1LMNAMAPK1HSD11B1HSD17B3
SCHEMBL5879803 0.85 LMNA (0.53) ALDH1A1LMNAMAPK1HSD11B1HSD17B3
SCHEMBL5880350 0.85 LMNA (0.53) ALDH1A1LMNAMAPK1HSD11B1HSD17B3
SCHEMBL29047652 0.83 ALDH1A1 (0.66) ALDH1A1LMNAMAPK1HSD11B1HSD17B3
SCHEMBL10682460 0.82 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL11053417 0.80 ALDH1A1 (0.76) ALDH1A1LMNAMAPK1HSD11B1HSD17B3
SCHEMBL1200310 0.80 ALDH1A1 (0.76) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL5879899 0.79 HSD11B1 (0.49) ALDH1A1HSD11B1HSD17B3KMT2AENPP3
SCHEMBL8434497 0.78 HSD11B1 (0.48) ALDH1A1MAPK1HSD11B1HSD17B3KMT2A

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
CN-108947931-B Thiazole amide compound, preparation method thereof, pharmaceutical composition and application 中国科学院上海有机化学研究所 2023-07-07 — — CN disclosed
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 — — US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 — — 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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 ALDH1A1 1095/4885LMNA 4281/4885MAPK1 3992/4885

“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.