Sugi Predict

Sugi Predict / Compounds / SCHEMBL5879719

SCHEMBL5879719

SCHEMBL5879719

COc1cccc(CC(=O)N/N=C/c2cc(F)ccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ MAPT P10636 8/20 0.49
▸ LMNA P02545 7/20 0.49
▸ SGK1 O00141 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ GAA P10253 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ UBE2N P61088 1/20 0.42
▸ FFAR2 O15552 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ EYA2 O00167 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL5879721 1.00 ALDH1A1 (0.49) ALDH1A1MAPTLMNASGK1CSNK1D
SCHEMBL5880115 0.93 SGK1 (0.48) ALDH1A1MAPTLMNASGK1CSNK1D
SCHEMBL5880113 0.93 SGK1 (0.48) ALDH1A1MAPTLMNASGK1CSNK1D
SCHEMBL5880286 0.93 ALDH1A1 (0.49) ALDH1A1MAPTLMNASGK1CSNK1D
SCHEMBL5880290 0.93 ALDH1A1 (0.49) ALDH1A1MAPTLMNASGK1CSNK1D
SCHEMBL5880044 0.92 ALDH1A1 (0.45) ALDH1A1MAPTLMNASGK1CSNK1D
SCHEMBL5880049 0.92 ALDH1A1 (0.45) ALDH1A1MAPTLMNASGK1CSNK1D
SCHEMBL5880105 0.91 ALDH1A1 (0.59) ALDH1A1MAPTLMNASGK1KDM4E
SCHEMBL5880110 0.91 ALDH1A1 (0.59) ALDH1A1MAPTLMNASGK1KDM4E
SCHEMBL5880269 0.89 MAPT (0.45) ALDH1A1MAPTLMNASGK1CSNK1D

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
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 — — US claimed
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 claimed
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 — — 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 1095/4885MAPT 4629/4885LMNA 4281/4885

“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.