Sugi Predict

Sugi Predict / Compounds / SCHEMBL5880089

SCHEMBL5880089

SCHEMBL5880089

COc1cccc(CC(=O)N/N=C/c2cccc(C)c2OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 8/20 0.47
▸ ALDH1A1 P00352 8/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SGK1 O00141 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 3/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL5880093 1.00 MAPT (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879833 0.92 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879828 0.92 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5880344 0.91 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5880342 0.91 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5880075 0.91 LMNA (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5880072 0.91 LMNA (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879605 0.89 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879607 0.89 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5879750 0.88 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4629/4885CYP1A2 226/4885CYP3A4 115/4885

“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.