SCHEMBL3102268

SCHEMBL3102268

Cc1oc(-c2ccc(S(C)(=O)=O)cc2)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.43
KMT2A Q03164 3/20 0.41
PTGS2 P35354 6/20 0.39
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
MMP13 P45452 4/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 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
SCHEMBL3094894 0.88 RCE1 (0.49) RCE1KMT2AMMP13MEN1ALDH1A1
SCHEMBL3095487 0.88 RCE1 (0.45) RCE1KMT2AMMP13MEN1ALDH1A1
SCHEMBL3113651 0.88 RCE1 (0.45) RCE1KMT2AMMP13MEN1ALDH1A1
SCHEMBL3101200 0.87 GCG (0.43) KMT2A
SCHEMBL3101341 0.87 RCE1 (0.48) RCE1KMT2AMEN1ALDH1A1NPC1
SCHEMBL3098449 0.87 KMT2A (0.35) RCE1KMT2APTGS2MMP13MEN1
SCHEMBL3107553 0.86 RCE1 (0.49) RCE1KMT2AMMP13MEN1ALDH1A1
SCHEMBL3106785 0.85 ALDH1A1 (0.47) RCE1KMT2AMEN1ALDH1A1NPC1
SCHEMBL3095367 0.85 RCE1 (0.43) RCE1MMP13
SCHEMBL3106902 0.83 RCE1 (0.49) RCE1KMT2APTGS2MMP13MEN1

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 RCE1 3126/4885KMT2A 2159/4885PTGS2 2506/4885

“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.