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Sugi Predict / Compounds / SCHEMBL3098604

SCHEMBL3098604

SCHEMBL3098604

COCc1oc(-c2ccc(OC)nc2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ OXTR P30559 1/20 0.35
▸ MCHR1 Q99705 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SCD O00767 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ BTK Q06187 2/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ GCG P01275 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 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
SCHEMBL3095176 0.91 PTGS2 (0.39) PTGS2HDAC6OXTRMCHR1NPC1
SCHEMBL3110172 0.88 GCG (0.43) GCG
SCHEMBL3099527 0.88 NAMPT (0.36) HDAC6MCHR1RCE1MEN1KMT2A
SCHEMBL3095647 0.85 DGAT1 (0.38) PTGS2MCHR1RCE1ATRGCG
SCHEMBL3095180 0.84 HDAC6 (0.35) PTGS2HDAC6OXTRMCHR1NPC1
SCHEMBL13094229 0.82 HPGD (0.39) PTGS2MCHR1RCE1ACKR3GCG
SCHEMBL3098655 0.81 ATM (0.33) PTGS2RCE1GCG
SCHEMBL3401976 0.81 BTK (0.41) PTGS2RCE1BTK
SCHEMBL3098613 0.81 ATM (0.33) PTGS2RCE1GCG
SCHEMBL3101718 0.80 PTGS2 (0.37) PTGS2MCHR1RCE1GCG

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 9 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
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 PTGS2 2506/4885HDAC6 2860/4885OXTR 237/4885

“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.