SCHEMBL3099141

SCHEMBL3099141

Cc1cc(-c2ccc(C(F)(F)F)cc2)sc1C(CC(C)C)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.42
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
PPARA Q07869 2/20 0.40
KMT2A Q03164 1/20 0.40
GCGR P47871 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
CYP2C8 P10632 1/20 0.38
NR4A2 P43354 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
RXRG P48443 1/20 0.38
SRD5A2 P31213 2/20 0.37

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
SCHEMBL3110156 0.90 PPARD (0.39) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL3107551 0.88 GCGR (0.55) GCGR
SCHEMBL13094297 0.86 GCGR (0.41) PPARDPPARAKMT2AGCGR
SCHEMBL3111621 0.78 SMN1; SMN2 (0.40) PPARDPPARAKMT2AGCGRRXRA
SCHEMBL3101211 0.77 PPARD (0.45) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL3102048 0.75 PSEN1 (0.42) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL3956026 0.74 PPARD (0.54) PPARDPPARA
SCHEMBL3106855 0.74 PPARD (0.44) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL5861802 0.74 PPARD (0.61) PPARDPPARA
SCHEMBL9951071 0.73 GCGR (0.45) PPARDPSEN1PSEN2APH1BNCSTN

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.