SCHEMBL2311682

SCHEMBL2311682

Cc1c(F)c(F)c(C(=O)O)c(C2CC2)c1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 13/20 0.45
TAS1R1 Q7RTX1 12/20 0.45
TAS1R2 Q8TE23 12/20 0.45
HCAR2 Q8TDS4 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR35 Q9HC97 1/20 0.32
MAPT P10636 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL503607 0.77 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2HCAR2MEN1
SCHEMBL27869257 0.76 MEN1 (0.43) TAS1R3TAS1R1TAS1R2HCAR2MEN1
SCHEMBL1067000 0.76 MAPT (0.37) HCAR2GPR35MAPTNOTUM
Hydrochloric Acid SCHEMBL6740806 0.75 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2HCAR2MEN1
SCHEMBL27805263 0.75 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2HCAR2MEN1
SCHEMBL2470702 0.75 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2HCAR2MEN1
SCHEMBL18781916 0.75 KMO (0.37) TAS1R3TAS1R1TAS1R2HCAR2KMT2A
SCHEMBL2860749 0.73 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL27841030 0.73 MAPT (0.41) HCAR2MEN1KMT2ACRHBPCRHR2
SCHEMBL21251402 0.73 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 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-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES GLRA1, GRIA1, GLRA2 TAS1R3 1170/4885TAS1R1 500/4885TAS1R2 719/4885

“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.