SCHEMBL614566

SCHEMBL614566

COC(=O)c1ccc2ccc(C#N)c(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
NOTUM Q6P988 2/20 0.37
LCK P06239 1/20 0.37
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
NQO2 P16083 1/20 0.35
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL10030428 0.83 NOTUM (0.48) NOTUMLCKKDM4EALDH1A1LMNA
SCHEMBL16502437 0.83 NOTUM (0.42) NOTUMLCKKDM4EALDH1A1LMNA
SCHEMBL16494945 0.82 PDK2 (0.44) NOTUMLCKKDM4EALDH1A1LMNA
SCHEMBL10030416 0.82 NOTUM (0.38) RORCNOTUMLCKABCC9ABCC8
SCHEMBL8142488 0.82 NOTUM (0.46) RORCNOTUMKDM4EALDH1A1LMNA
SCHEMBL402630 0.82 NOTUM (0.43) RORCNOTUMABCC9ABCC8KCNJ11
SCHEMBL10030402 0.80 NOTUM (0.37) NOTUMLCKKDM4EALDH1A1LMNA
SCHEMBL8326418 0.79 NOTUM (0.43) RORCNOTUMKDM4EALDH1A1GAA
SCHEMBL18198419 0.76 NOTUM (0.42) NOTUMLCKKDM4EALDH1A1LMNA
SCHEMBL2813446 0.76 NQO2 (0.44) NOTUMLCKKDM4EALDH1A1LMNA

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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 US disclosed
EP-2394988-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A RORC 3123/4885NOTUM 1063/4885LCK 2665/4885

“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.