SCHEMBL13122961

SCHEMBL13122961

CC(C)c1ccc(C(=O)NC2CC2)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.63
TAS1R1 Q7RTX1 2/20 0.63
TAS1R2 Q8TE23 2/20 0.63
CNR2 P34972 1/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK14 Q16539 2/20 0.43
MAPK11 Q15759 1/20 0.43
HDAC4 P56524 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
DRD4 P21917 2/20 0.43
CCR2 P41597 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
MAPK13 O15264 1/20 0.42
HPGDS O60760 1/20 0.42

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
SCHEMBL13122964 0.95 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2CNR2HDAC4
SCHEMBL13122955 0.95 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2CNR2HDAC4
SCHEMBL105413 0.82 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2CNR2KMT2A
SCHEMBL13122959 0.81 S1PR1 (0.44) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL13122946 0.81 MAPK14 (0.49) CNR2MAPK14MAPK11HDAC4
SCHEMBL105864 0.80 CNR2 (0.53) CNR2KMT2AMEN1MAPK14MAPK11
SCHEMBL13122952 0.80 NPSR1 (0.56) TAS1R3TAS1R1TAS1R2HDAC4SMN1; SMN2
SCHEMBL5874054 0.79 ACE2 (0.51) KMT2AMEN1
SCHEMBL105058 0.79 CNR2 (0.52) TAS1R3TAS1R1TAS1R2CNR2KMT2A
SCHEMBL104336 0.79 CNR2 (0.55) TAS1R3TAS1R2CNR2KMT2AMEN1

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-7816348-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-19 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E TAS1R3 2430/4885TAS1R1 1930/4885TAS1R2 2557/4885

“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.