SCHEMBL5879956

SCHEMBL5879956

O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MAPT P10636 7/20 0.50
LMNA P02545 6/20 0.50
HTT P42858 6/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 4/20 0.48
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PTBP1 P26599 1/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.44
EYA2 O00167 1/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL5879953 1.00 KMT2A (0.50) KMT2AMAPTLMNAHTTMEN1
SCHEMBL5880133 0.90 MAPT (0.50) KMT2AMAPTLMNAHTTMEN1
SCHEMBL5880130 0.90 MAPT (0.50) KMT2AMAPTLMNAHTTMEN1
SCHEMBL5879781 0.90 LMNA (0.51) KMT2AMAPTLMNAHTTMEN1
SCHEMBL5879777 0.90 LMNA (0.51) KMT2AMAPTLMNAHTTMEN1
SCHEMBL6374926 0.89 MAPT (0.54) KMT2AMAPTLMNAHTTMEN1
SCHEMBL5880054 0.89 MAPT (0.54) KMT2AMAPTLMNAHTTMEN1
SCHEMBL5879691 0.89 MAPT (0.52) KMT2AMAPTLMNAHTTMEN1
SCHEMBL5880267 0.89 LMNA (0.54) KMT2AMAPTLMNAHTTMEN1
SCHEMBL6379352 0.89 LMNA (0.57) KMT2AMAPTLMNAHTTMEN1

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 KMT2A 1234/4885MAPT 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.