Sugi Predict

Sugi Predict / Compounds / SCHEMBL5879985

SCHEMBL5879985

SCHEMBL5879985

COc1cccc(CC(=O)NN=Cc2c(Cl)cccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.43
▸ GRK5 P34947 1/20 0.43
▸ GRK3 P35626 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 8/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ LMNA P02545 4/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ FFAR2 O15552 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ SGK1 O00141 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ ADCYAP1R1 P41586 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ EYA2 O00167 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 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
SCHEMBL5879982 1.00 GRK2 (0.43) GRK2GRK5GRK3MEN1KMT2A
SCHEMBL5880014 0.93 MAPT (0.45) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5880010 0.93 MAPT (0.45) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5880218 0.93 MAPT (0.46) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5880215 0.93 MAPT (0.46) MAPTALDH1A1LMNACSNK1DFFAR2
SCHEMBL5880265 0.91 MAPT (0.45) GRK2GRK5GRK3MAPTALDH1A1
SCHEMBL5880269 0.91 MAPT (0.45) GRK2GRK5GRK3MAPTALDH1A1
SCHEMBL5879841 0.91 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5879837 0.91 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5880113 0.88 SGK1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA

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 GRK2 2786/4885GRK5 3289/4885GRK3 1624/4885

“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.