SCHEMBL12777402

SCHEMBL12777402

C[C@@H]1CCc2c1[nH]c(C(=O)O)c2F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.49
JAK2 O60674 1/20 0.38
THRB P10828 1/20 0.38
EIF4A3 P38919 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
SCHEMBL8153470 1.00 HCAR2 (0.49) HCAR2JAK2THRBEIF4A3
SCHEMBL12777390 0.83 HCAR2 (0.49) HCAR2
SCHEMBL8157761 0.83 HCAR2 (0.49) HCAR2
SCHEMBL12777406 0.81 HCAR2 (0.47) HCAR2
SCHEMBL12777413 0.81 HCAR2 (0.47) HCAR2
SCHEMBL8159290 0.81 HCAR2 (0.47) HCAR2
SCHEMBL8153554 0.81 HCAR2 (0.47) HCAR2
SCHEMBL8145101 0.81 HCAR2 (0.44) HCAR2
SCHEMBL12777412 0.81 JAK2 (0.39) HCAR2JAK2THRB
SCHEMBL8153472 0.79 HCAR2 (0.40) HCAR2JAK2THRBEIF4A3

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
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (2 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HCAR2 2765/4885JAK2 3162/4885THRB 3901/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HCAR2 2765/4885JAK2 3162/4885THRB 3901/4885

“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.