SCHEMBL4420071

SCHEMBL4420071

CSc1c(Nc2cc(C(F)(F)F)c(C(=O)O)cn2)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TAS2R14 Q9NYV8 4/20 0.44
RXFP1 Q9HBX9 1/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
FABP4 P15090 1/20 0.41
SORT1 Q99523 1/20 0.41
CNR2 P34972 6/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK8 P45983 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL4420075 0.85 TAS2R14 (0.63) DHODHHDAC6TAS2R14AKR1C3AKR1C2
SCHEMBL3380302 0.80 CNR2 (0.47) DHODHHDAC6TAS2R14RXFP1CNR2
SCHEMBL5077164 0.79 CLCN2 (0.46) DHODHHDAC6TAS2R14FABP4CNR2
SCHEMBL4648994 0.73 CNR2 (0.65) CNR2
SCHEMBL5077208 0.73 CNR2 (0.64) CNR2
SCHEMBL8493408 0.73 TAS2R14 (0.50) DHODHHDAC6TAS2R14AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL5080710 0.72 CNR2 (0.63) CNR2
SCHEMBL6376354 0.70 ASPH (0.49) RXFP1SORT1
SCHEMBL5083362 0.70 MAPT (0.49) CNR2JAK2JAK1TYK2MAPK10
SCHEMBL1105997 0.67 ASPH (0.54) DHODHHDAC6TAS2R14SORT1

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-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 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-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators CNR2, CNR1, P2RX3 DHODH 632/4885HDAC6 3644/4885TAS2R14 1432/4885

“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.