SCHEMBL12513698

SCHEMBL12513698

CC(=O)C1CCN(S(=O)(=O)CC(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
GAA P10253 1/20 0.42
LMNA P02545 5/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12437006 0.83 GAA (0.56) GAALMNAMAPK1MAPTL3MBTL1
SCHEMBL8263009 0.80 KDM4E (0.46) EPHX2GAALMNAMAPTL3MBTL1
SCHEMBL12513697 0.79 TP53 (0.40) GAALMNAMAPK1MAPTTP53
SCHEMBL22860158 0.77 EPHX2 (0.41) EPHX2GAALMNAMAPT
SCHEMBL30150610 0.77 LMNA (0.42) EPHX2GAALMNAMAPTALDH1A1
SCHEMBL1517086 0.77 EPHX2 (0.43) EPHX2GAALMNAMAPK1MAPT
Trifluoroacetic Acid SCHEMBL19857506 0.76 EPHX2 (0.43) EPHX2GAALMNAMAPK1MAPT
SCHEMBL19857415 0.76 EPHX2 (0.58) EPHX2GAAMAPTL3MBTL1ALDH1A1
SCHEMBL17244091 0.74 TP53 (0.44) EPHX2GAALMNAMAPK1MAPT
SCHEMBL12437005 0.74 TP53 (0.63) MAPTL3MBTL1TP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 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 (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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B EPHX2 1713/4885GAA 4829/4885LMNA 1748/4885

“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.