Sugi Predict

Sugi Predict / Compounds / SCHEMBL3104644

SCHEMBL3104644

SCHEMBL3104644

COc1ccc(-c2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ PKM P14618 2/20 0.37
▸ PIN1 Q13526 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ LIMK2 P53671 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ GCG P01275 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL3102962 0.92 MAPT (0.39) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL3111733 0.91 HSD17B2 (0.40) ALDH1A1MAPTHPGDLIMK2GCG
SCHEMBL3109262 0.90 GCG (0.41) ALDH1A1MAPTHPGDNPC1GAA
SCHEMBL3100035 0.90 HTT (0.35) ALDH1A1MAPTHPGDNPC1GAA
SCHEMBL3113203 0.90 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL3095333 0.90 AKR1C3 (0.40) ALDH1A1MAPTHPGDGCGRGCG
SCHEMBL3101422 0.88 CTSA (0.36) ALDH1A1MAPTHPGDNPC1GAA
SCHEMBL3102341 0.88 HDAC6 (0.39) NPC1GCGRAB9A
SCHEMBL13093845 0.87 GCGR (0.41) GCGRGCG
SCHEMBL3106816 0.85 GCG (0.45) ALDH1A1MAPTHPGDPKMGCGR

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 ALDH1A1 3963/4885MAPT 4877/4885HPGD 1354/4885

“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.