SCHEMBL2819940

SCHEMBL2819940

COC(=O)c1ccc2c(c1)C(NS(=O)(=O)c1ccccc1F)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
KCNA5 P22460 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40

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
SCHEMBL2819943 1.00 KMT2A (0.45) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL2816825 0.88 PDE4A (0.45) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL2816824 0.88 PDE4A (0.45) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL2817671 0.88 CYP1A2 (0.50) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL803565 0.87 TAS1R3 (0.44) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL2820965 0.87 TAS1R3 (0.44) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL2815786 0.87 RBP4 (0.46) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL2815784 0.87 RBP4 (0.46) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL803521 0.84 CYP1A2 (0.54) KMT2AMEN1MAPTPDE4APDE4B
SCHEMBL484509 0.83 KCNA5 (0.44) KMT2AMEN1MAPTPDE4APDE4B

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN KMT2A 2136/4885MEN1 901/4885MAPT 4634/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN KMT2A 2136/4885MEN1 901/4885MAPT 4634/4885

“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.