SCHEMBL9909214

SCHEMBL9909214

COC(=O)c1cc(C)c2nccc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 5/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
DYRK1A Q13627 1/20 0.37
BRD4 O60885 1/20 0.36
PDK2 Q15119 1/20 0.35
SLC40A1 Q9NP59 2/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
PPARA Q07869 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NR1H2 P55055 1/20 0.34
SYK P43405 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL9909217 0.89 KDM4E (0.38) NOTUMKDM4EKDM6BKDM5CKDM4C
SCHEMBL9909234 0.88 NOTUM (0.39) NOTUMKDM4EKDM6BKDM5CKDM4C
SCHEMBL9909204 0.88 KDM4E (0.40) NOTUMKDM4EKDM6BKDM5CKDM4C
SCHEMBL9909176 0.83 GAA (0.38) NOTUMKDM4EPDK2ALDH1A1L3MBTL1
SCHEMBL27185476 0.81 KDM4E (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL31510024 0.81 KDM4E (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909152 0.81 HTT (0.46) NOTUMKDM4EKDM6BKDM5CKDM4C
SCHEMBL14616750 0.79 NOTUM (0.53) NOTUMKDM4EPDK2ALDH1A1GAA
SCHEMBL9907416 0.77 KDM4E (0.45) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL14448997 0.76 NOTUM (0.47) NOTUMKDM4EPDK2ALDH1A1L3MBTL1

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E NOTUM 1086/4885KDM4E 1474/4885KDM6B 1843/4885

“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.