SCHEMBL13799668

SCHEMBL13799668

Cc1cc(C(N)=O)ncc1C(Sc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PPARD Q03181 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
SCN9A Q15858 2/20 0.34
SLC2A1 P11166 1/20 0.33
SLC2A3 P11169 1/20 0.33
SLC2A4 P14672 1/20 0.33
P2RY14 Q15391 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL596982 0.92 GRM2 (0.34) KMT2ACYP3A4GAAHPGDNR3C1
SCHEMBL595767 0.89 PSEN1 (0.36) CYP3A4CYP2C9CYP2C19NPSR1NR3C1
SCHEMBL596467 0.88 NR3C1 (0.33) KMT2ACYP3A4NR3C1PGRSCN9A
SCHEMBL595215 0.82 KMO (0.38) KMT2AGAAKDM4E
SCHEMBL596490 0.79 GRM2 (0.33) KMT2APPARDCYP3A4GAAHPGD
SCHEMBL596026 0.79 PSEN1 (0.37) KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL595773 0.79 P2RX7 (0.33) TRPV1KDM4E
SCHEMBL595233 0.77 GPR6 (0.34) TRPV1
SCHEMBL14339006 0.77 PSEN1 (0.36) KMT2A
SCHEMBL595991 0.76 GCGR (0.38) CYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 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-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE APP, IAPP, BACE1 KMT2A 4742/4885PPARD 3314/4885CYP3A4 3027/4885

“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.