SCHEMBL3101211

SCHEMBL3101211

Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(CC(C)C)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.45
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
GCGR P47871 1/20 0.39
PTPN1 P18031 3/20 0.39
CYP2C8 P10632 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PPARA Q07869 1/20 0.37
SRD5A2 P31213 2/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A9 P48067 1/20 0.37
PPARG P37231 1/20 0.37
NR4A2 P43354 1/20 0.36

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
SCHEMBL3106855 0.89 PPARD (0.44) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL3102399 0.89 PPARD (0.43) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL3105232 0.88 GCGR (0.55) GCGR
SCHEMBL3106641 0.87 NPC1 (0.47) RXRARXRBNR1H4SRD5A2KMT2A
SCHEMBL3102204 0.86 GCGR (0.41) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL3095207 0.86 PPARD (0.38) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL3100060 0.80 PPARD (0.41) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL3103092 0.78 PPARD (0.41) PPARDGCGRPTPN1RXRARXRB
SCHEMBL3101970 0.78 PPARD (0.46) PPARDCYP2C8RXRARXRBRXRG
SCHEMBL3113526 0.78 GCGR (0.55) GCGR

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 PPARD 1129/4885PSEN1 4552/4885PSEN2 4687/4885

“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.