SCHEMBL3109960

SCHEMBL3109960

CN(CCC(=O)O)C(=O)c1ccc(NC(c2cc(-c3ccccc3)oc2CS(C)(=O)=O)C2CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.35
RCE1 Q9Y256 1/20 0.34
GCG P01275 1/20 0.34
MCHR1 Q99705 1/20 0.33
PGR P06401 1/20 0.33
SLC6A9 P48067 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ABL1 P00519 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
SCHEMBL3095091 0.92 L3MBTL1 (0.35) TEAD4RCE1GCGMCHR1PGR
SCHEMBL3106477 0.91 GLP1R (0.37) GCGMCHR1MAPTTRPV4AKR1C3
SCHEMBL3110628 0.90 GCG (0.38) TEAD4RCE1GCGMCHR1PGR
SCHEMBL3111553 0.88 TEAD4 (0.35) TEAD4RCE1GCGMCHR1PGR
SCHEMBL13093864 0.87 ALDH1A1 (0.41) TEAD4RCE1GCGMCHR1PGR
SCHEMBL3111525 0.87 PGR (0.36) TEAD4RCE1GCGMCHR1PGR
SCHEMBL3110782 0.87 GCG (0.42) GCGCYP2D6
SCHEMBL3102136 0.86 ALDH1A1 (0.41) TEAD4RCE1GCGMCHR1PGR
SCHEMBL3109311 0.84 ALDH1A1 (0.41) TEAD4RCE1GCGMCHR1MEN1
SCHEMBL3089930 0.83 MCHR1 (0.34) GCGMCHR1MAPTTRPV4

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 8 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-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US 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
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 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 TEAD4 2808/4885RCE1 3126/4885GCG 11/4885

“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.