SCHEMBL13780715

SCHEMBL13780715

O=C(O)c1ccc(S(=O)(=O)Nc2cc(SCc3ccco3)c(O)c3ccccc23)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.70
▸ STAT3 P40763 1/20 0.70
▸ MCL1 Q07820 14/20 0.59
▸ HKDC1 Q2TB90 7/20 0.59
▸ BCL2 P10415 4/20 0.57
▸ BCL2L1 Q07817 4/20 0.57
▸ BCL2A1 Q16548 4/20 0.57
▸ BCL2L2 Q92843 4/20 0.57
▸ HK1 P19367 3/20 0.57
▸ KEAP1 Q14145 6/20 0.56
▸ NFE2L2 Q16236 6/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ POLB P06746 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ BLM P54132 3/20 0.56
▸ CFTR P13569 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ GOPC Q9HD26 3/20 0.56
▸ TDP2 O95551 3/20 0.56
▸ NSD2 O96028 3/20 0.56

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
SCHEMBL1428457 0.83 EP300 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL2241344 0.74 MCL1 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL2239398 0.73 MCL1 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL17211721 0.73 MCL1 (0.82) EP300STAT3MCL1HKDC1BCL2
SCHEMBL14851297 0.72 MCL1 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL2239169 0.72 MCL1 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL14842934 0.72 MCL1 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL14851295 0.72 MCL1 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL29373585 0.72 MCL1 (1.00) EP300STAT3MCL1HKDC1BCL2
SCHEMBL12351845 0.72 MCL1 (0.84) EP300STAT3MCL1HKDC1BCL2

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-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 — — US disclosed
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 — — 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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 EP300 2398/4885STAT3 3023/4885MCL1 4276/4885

“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.

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