Sugi Predict

Sugi Predict / Compounds / SCHEMBL5880161

SCHEMBL5880161

SCHEMBL5880161

O=C(Cc1cccc(Cl)c1)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ LMNA P02545 7/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ANO1 Q5XXA6 2/20 0.45
▸ FFAR2 O15552 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ SGK1 O00141 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CSNK1D P48730 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ CYP2D6 P10635 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
SCHEMBL5880163 1.00 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5879896 0.93 LMNA (0.43) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5879892 0.93 LMNA (0.43) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5880055 0.93 LMNA (0.47) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5880051 0.93 LMNA (0.47) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5879764 0.92 LMNA (0.45) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5879768 0.92 LMNA (0.45) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5879948 0.91 LMNA (0.46) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5879946 0.91 LMNA (0.46) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4
SCHEMBL5879894 0.91 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19NPSR1CYP3A4

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 CYP1A2 226/4885CYP2C9 224/4885CYP2C19 661/4885

“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.