SCHEMBL16396232

SCHEMBL16396232

O=[N+]([O-])c1cc(O)cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ NAMPT P43490 9/20 0.42
▸ KAT6A Q92794 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 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
SCHEMBL16396119 0.86 KMT2A (0.50) HTTKMT2AGAANAMPTMEN1
SCHEMBL15689589 0.85 HTT (0.54) HTTKMT2AGAANAMPTMEN1
SCHEMBL16395932 0.80 GAA (0.44) HTTKMT2AGAANAMPTHTR6
SCHEMBL28226231 0.79 KAT6A (0.44) NAMPTKAT6ACYP3A4CYP2D6CYP2C9
SCHEMBL22954096 0.74 KAT6A (0.53) NAMPTKAT6ACYP3A4CYP2D6CYP2C9
SCHEMBL9778961 0.73 PTGES2 (0.52) HTTNAMPTKAT6ACYP3A4CYP2D6
SCHEMBL29469269 0.73 KMT2A (0.58) HTTKMT2AGAAMEN1TP53
SCHEMBL1130974 0.73 KMT2A (0.58) HTTKMT2AGAAMEN1TP53
SCHEMBL27947180 0.72 KMT2A (0.52) HTTKMT2AGAAMEN1TP53
SCHEMBL13729924 0.72 HTR6 (0.48) NAMPTKAT6ACYP3A4CYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 — — US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 — — EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 — — US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 — — EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 — — WO 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 (2 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A HTT 1660/4885KMT2A 3017/4885GAA 3188/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A HTT 1660/4885KMT2A 3017/4885GAA 3188/4885

“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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