Sugi Predict

Sugi Predict / Compounds / SCHEMBL5880105

SCHEMBL5880105

SCHEMBL5880105

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.59
▸ MAPT P10636 10/20 0.59
▸ LMNA P02545 10/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ SGK1 O00141 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ GAA P10253 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ RCE1 Q9Y256 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
SCHEMBL5880110 1.00 ALDH1A1 (0.59) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5880228 0.94 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5880226 0.94 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5879796 0.94 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5879800 0.94 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5879750 0.92 MAPT (0.58) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5879754 0.92 MAPT (0.58) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5879719 0.91 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5879721 0.91 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5880022 0.91 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2MEN1

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.