SCHEMBL3098449

SCHEMBL3098449

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
RCE1 Q9Y256 1/20 0.33
MMP13 P45452 4/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 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
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.32
PGR P06401 1/20 0.32
PTGS2 P35354 2/20 0.32
S1PR1 P21453 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL13093864 0.90 ALDH1A1 (0.41) KMT2ARCE1ALDH1A1MEN1CYP1A2
SCHEMBL3102500 0.90 TACR1 (0.39) KMT2ARCE1ALDH1A1MEN1CYP1A2
SCHEMBL3106912 0.90 MMP13 (0.37) KMT2ARCE1MMP13ALDH1A1SMN1; SMN2
SCHEMBL3102136 0.89 ALDH1A1 (0.41) KMT2ARCE1ALDH1A1MEN1CYP1A2
SCHEMBL3109932 0.88 RCE1 (0.38) KMT2ARCE1MMP13ALDH1A1MEN1
SCHEMBL3109311 0.88 ALDH1A1 (0.41) KMT2ARCE1ALDH1A1MEN1CYP1A2
SCHEMBL3107023 0.88 GLP1R (0.39)
SCHEMBL3095083 0.87 FFAR1 (0.34) KMT2ARCE1ALDH1A1MEN1MAPT
SCHEMBL3102268 0.87 RCE1 (0.43) KMT2ARCE1MMP13ALDH1A1GAA
SCHEMBL3101200 0.87 GCG (0.43) KMT2A

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 KMT2A 2159/4885RCE1 3126/4885MMP13 3966/4885

“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.