SCHEMBL13701752

SCHEMBL13701752

CC(C)(C)NC(=O)c1ccnc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
POLB P06746 3/20 0.44
MAPT P10636 1/20 0.44
ANO1 Q5XXA6 3/20 0.43
BRAF P15056 1/20 0.43
RIPK1 Q13546 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
HPGDS O60760 1/20 0.42
APEX1 P27695 1/20 0.41
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41

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
SCHEMBL9989680 0.86 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2BRAFNPC1
SCHEMBL9382063 0.81 LMNA (0.47) POLBMAPTANO1RIPK1NPC1
SCHEMBL13702396 0.81 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2BRAFRIPK1
SCHEMBL31082091 0.81 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2BRAFRIPK1
SCHEMBL20812677 0.81 LMNA (0.50) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL13701663 0.80 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2POLBMAPT
SCHEMBL15962773 0.79 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2ANO1BRAF
SCHEMBL20812506 0.78 KCNK3 (0.54) POLBMAPTRIPK1NPC1RAB9A
SCHEMBL13701746 0.78 WNT1 (0.44) POLBMAPTRIPK1NPC1RAB9A
SCHEMBL2997667 0.77 KDM4E (0.55) TAS1R3TAS1R1TAS1R2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX TAS1R3 3911/4885TAS1R1 4304/4885TAS1R2 4633/4885

“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.