SCHEMBL21116149

SCHEMBL21116149

CC(C)(C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
GPR35 Q9HC97 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
P2RX1 P51575 5/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ACP1 P24666 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48

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
SCHEMBL2681462 0.85 MAPT (0.78) MAPTGPR35CA12CA1CA2
SCHEMBL11052381 0.84 MAPT (0.54) MAPTGPR35CA12CA1CA2
SCHEMBL12347771 0.83 MAPT (0.69) MAPTCA12CA1CA2CA9
SCHEMBL15946352 0.82 EPHX2 (0.72) MAPTCA12CA1CA2CA9
SCHEMBL7951394 0.81 MAPT (1.00) MAPTGPR35CA12CA1CA2
SCHEMBL17849580 0.81 MEN1 (0.60) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL12404443 0.79 SMN1; SMN2 (0.71) MAPTGPR35LMNAMEN1KMT2A
SCHEMBL13805295 0.78 MAPT (0.63) MAPTGPR35CA12CA1CA2
SCHEMBL7520231 0.78 ALDH1A1 (0.70) MAPTGPR35CA12CA1CA2
SCHEMBL23148069 0.78 MAPT (0.62) MAPTGPR35P2RX1LMNAALDH1A1

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-10793527-B2 Adenosine monophosphate-activated protein kinase agonist NATIONAL YANG-MING UNIVERSITY (TW) 2020-10-06 US disclosed
US-20190194142-A1 AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST NATIONAL YANG-MING UNIVERSITY (TW) 2019-06-27 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-20190194142-A1 AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST PRKAG1, PRKAG2, PRKAB1 MAPT 4049/4885GPR35 1032/4885CA12 4872/4885
US-10793527-B2 Adenosine monophosphate-activated protein kinase agonist PRKAG1, PRKAG2, PRKAB1 MAPT 4022/4885GPR35 875/4885CA12 4868/4885

“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.