SCHEMBL3095683

SCHEMBL3095683

COc1ccc(F)c(-c2cc(C(CC(C)C)Nc3ccc(C(=O)O)cc3)c(C)o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.39
CTSA P10619 2/20 0.38
NPC1 O15118 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL3107457 0.90 GAA (0.41) GAAMEN1KMT2AMAPTNPC1
SCHEMBL3101773 0.88 GCG (0.44)
SCHEMBL3101422 0.88 CTSA (0.36) GAAMEN1KMT2AMAPTCTSA
SCHEMBL3100165 0.84 CCNT1 (0.46) GAAMEN1KMT2AMAPTCTSA
SCHEMBL3102029 0.83 PPARD (0.45) GAAMEN1KMT2AMAPTNPC1
SCHEMBL3113572 0.83 CCNT1 (0.39) GAAMEN1KMT2AMAPTCTSA
SCHEMBL3089967 0.82 PPARD (0.42) GAAMEN1KMT2AMAPTCTSA
SCHEMBL3109992 0.80 MKNK1 (0.38) GAAMAPTCTSANPC1F2
SCHEMBL3107126 0.78 ALDH1A1 (0.47) GAAMEN1KMT2AMAPTNPC1
SCHEMBL3107471 0.78 GCG (0.44)

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 GAA 2233/4885MEN1 233/4885KMT2A 2159/4885

“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.