SCHEMBL5880168

SCHEMBL5880168

COc1cccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C=NNC(=O)Cc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.44
ALDH1A1 P00352 8/20 0.44
MAPT P10636 8/20 0.44
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
FFAR2 O15552 1/20 0.42
EYA2 O00167 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
GCGR P47871 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.40

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
SCHEMBL5880166 1.00 SGK1 (0.44) SGK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5880218 0.91 MAPT (0.46) SGK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5880215 0.91 MAPT (0.46) SGK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5879837 0.91 KMT2A (0.49) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL5879841 0.91 KMT2A (0.49) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL5879903 0.90 LMNA (0.44) MAPTLMNAHTTKDM4EFFAR2
SCHEMBL5879897 0.90 LMNA (0.44) MAPTLMNAHTTKDM4EFFAR2
SCHEMBL5880163 0.88 CYP1A2 (0.49) SGK1ALDH1A1MAPTLMNAHTT
SCHEMBL5880161 0.88 CYP1A2 (0.49) SGK1ALDH1A1MAPTLMNAHTT
SCHEMBL5879982 0.87 GRK2 (0.43) SGK1ALDH1A1MAPTLMNASMN1; SMN2

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 SGK1 2974/4885ALDH1A1 1095/4885MAPT 4629/4885

“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.