SCHEMBL5880072

SCHEMBL5880072

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
CSNK1D P48730 1/20 0.44
FFAR2 O15552 1/20 0.43
SGK1 O00141 1/20 0.42
MAPT P10636 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 2/20 0.41
UBE2N P61088 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 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
SCHEMBL5880075 1.00 LMNA (0.45) LMNACSNK1DFFAR2SGK1MAPT
SCHEMBL5879776 0.92 LMNA (0.56) LMNACSNK1DFFAR2SGK1MAPT
SCHEMBL5879779 0.92 LMNA (0.56) LMNACSNK1DFFAR2SGK1MAPT
SCHEMBL5880093 0.91 MAPT (0.51) LMNASGK1MAPTCYP1A2CYP3A4
SCHEMBL5880089 0.91 MAPT (0.51) LMNASGK1MAPTCYP1A2CYP3A4
SCHEMBL5880182 0.90 MEN1 (0.47) LMNACSNK1DFFAR2SGK1MAPT
SCHEMBL5880186 0.90 MEN1 (0.47) LMNACSNK1DFFAR2SGK1MAPT
SCHEMBL5880113 0.88 SGK1 (0.48) LMNACSNK1DFFAR2SGK1MAPT
SCHEMBL5880115 0.88 SGK1 (0.48) LMNACSNK1DFFAR2SGK1MAPT
SCHEMBL5880014 0.88 MAPT (0.45) LMNACSNK1DFFAR2SGK1MAPT

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 LMNA 4281/4885CSNK1D 1726/4885FFAR2 2988/4885

“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.