SCHEMBL3101653

SCHEMBL3101653

COC(=O)c1ccc(NC(c2sc(-c3ccc(C(F)(F)F)cc3)cc2C)C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
CISD2 Q8N5K1 1/20 0.38
PTPN1 P18031 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
APOB P04114 4/20 0.37
MTTP P55157 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
SMO Q99835 3/20 0.37
ACKR3 P25106 1/20 0.36

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
SCHEMBL3101390 0.91 MAPK11 (0.41) MAPK11MAPK14EPHX2SMOACKR3
SCHEMBL3109620 0.88 KDM4E (0.42) ALDH1A1NPC1SMN1; SMN2EPHX2PTPN1
SCHEMBL3089962 0.85 GCGR (0.53)
SCHEMBL3093701 0.84 SMN1; SMN2 (0.41) MAPK11MAPK14NPC1SMN1; SMN2ACKR3
SCHEMBL3101838 0.83 GLP1R (0.39) MAPK11MAPK14
SCHEMBL3110114 0.79 RCE1 (0.45) MAPK11MAPK14ALDH1A1NPC1MAPT
SCHEMBL3110106 0.78 RCE1 (0.45) MAPK11MAPK14EPHX2ACKR3CYP3A4
SCHEMBL720172 0.77 ALDH1A1 (0.44) ALDH1A1NPC1SMN1; SMN2EPHX2MAPT
SCHEMBL3099329 0.75 PDE2A (0.39) MAPK11MAPK14SMN1; SMN2MAPTMEN1
SCHEMBL3111621 0.75 SMN1; SMN2 (0.40) MAPK11MAPK14NPC1SMN1; SMN2EPHX2

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR MAPK11 542/4885MAPK14 1389/4885ALDH1A1 3963/4885

“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.