Sugi Predict

Sugi Predict / Compounds / SCHEMBL5880108

SCHEMBL5880108

SCHEMBL5880108

O=Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ PTGES2 Q9H7Z7 2/20 0.62
▸ CYP2D6 P10635 1/20 0.59
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ ELANE P08246 1/20 0.56
▸ PRTN3 P24158 1/20 0.56
▸ SLC40A1 Q9NP59 2/20 0.53
▸ ACLY P53396 1/20 0.50
▸ KDM1A O60341 1/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ UQCRB P14927 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ KCNA5 P22460 1/20 0.46
▸ CA1 P00915 1/20 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
SCHEMBL288492 0.87 CYP2C9 (0.66) CYP2C9CYP2C19PTGES2CYP2D6KMT2A
SCHEMBL28709217 0.87 PTGES2 (0.60) CYP2C9CYP2C19PTGES2CYP2D6KMT2A
SCHEMBL7588697 0.86 PTGES2 (0.74) CYP2C9PTGES2CYP2D6KMT2AMEN1
SCHEMBL5879611 0.85 PTGES2 (0.61) CYP2C9CYP2C19PTGES2CYP2D6KMT2A
SCHEMBL5879614 0.85 PTGES2 (0.61) CYP2C9CYP2C19PTGES2CYP2D6KMT2A
SCHEMBL8459483 0.82 CYP2C9 (0.76) CYP2C9CYP2C19KMT2AMEN1LMNA
SCHEMBL15820897 0.80 CYP2C9 (1.00) CYP2C9CYP2C19KMT2AMEN1LMNA
SCHEMBL28556216 0.80 CYP2C9 (0.72) CYP2C9CYP2C19PTGES2KMT2AMEN1
SCHEMBL14403258 0.79 PTGES2 (0.65) CYP2C9CYP2C19PTGES2KMT2AMEN1
SCHEMBL29540970 0.78 KEAP1 (0.68) CYP2C9PTGES2CYP2D6KMT2AMEN1

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-108774170-B Octahydroacridine skeleton with three continuous chiral centers and preparation method thereof 中南大学 2021-05-14 — — 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 CYP2C9 224/4885CYP2C19 661/4885PTGES2 927/4885

“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.