SCHEMBL25837687

SCHEMBL25837687

C[C@H](NC(=O)C(=O)O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.52
GPR139 Q6DWJ6 10/20 0.49
ALDH1A1 P00352 1/20 0.47
ACACB O00763 1/20 0.47

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
SCHEMBL30202951 0.84 ACACB (0.63) PDE2AACACB
SCHEMBL30186632 0.84 ACACB (0.63) PDE2AACACB
SCHEMBL17193733 0.81 ACACB (0.59) ALDH1A1ACACB
SCHEMBL17193732 0.81 ACACB (0.59) ALDH1A1ACACB
SCHEMBL25837685 0.81 ACACB (0.58) PDE2AGPR139ALDH1A1ACACB
SCHEMBL23194528 0.80 PDE2A (0.50) PDE2AGPR139
SCHEMBL23122640 0.79 GPR139 (0.53) GPR139ALDH1A1
SCHEMBL23122643 0.79 GPR139 (0.53) GPR139ALDH1A1
SCHEMBL29178120 0.79 ALDH1A1 (0.54) GPR139ALDH1A1
SCHEMBL24494666 0.79 ACACB (0.51) PDE2AGPR139ALDH1A1ACACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146635-A1 SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST Takeda Pharmaceutical Company Limited (JP) 2023-03-15 EP claimed
US-20230227416-A1 SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-07-20 US disclosed
US-20230227416-A1 SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-07-20 US 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-20230227416-A1 SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST GPR139, GPR84, GPR3 PDE2A 1096/4885GPR139 1/4885ALDH1A1 2827/4885

“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.