SCHEMBL5111908

SCHEMBL5111908

Cc1cccc(-c2ccccc2F)c1NC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.39
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 2/20 0.35
MAPT P10636 2/20 0.34
ADORA2B P29275 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5111878 0.84 SLC6A4 (0.41) NLRP3LMNASMN1; SMN2HTTNPSR1
SCHEMBL5106742 0.83 CHRNA7 (0.39) NLRP3LMNASMN1; SMN2HTTNPSR1
SCHEMBL5112474 0.82 NLRP3 (0.37) NLRP3LMNASMN1; SMN2HTTNPSR1
SCHEMBL5107150 0.81 PTGER2 (0.38) NLRP3LMNASMN1; SMN2HTTNPSR1
Trifluoroacetic Acid SCHEMBL5111906 0.81 RAB9A (0.41) LMNASMN1; SMN2HTTNPSR1S1PR2
SCHEMBL5103336 0.80 CHRNA7 (0.44) LMNAPDK1PDK2PDK3PDK4
SCHEMBL5100355 0.80 S1PR4 (0.43) NLRP3LMNAS1PR4ALDH1A1PDK2
SCHEMBL5106072 0.79 CHRM3 (0.43) NPSR1ADORA3ADORA2AADORA1MAPT
SCHEMBL3912144 0.79 CHRM3 (0.39) LMNASMN1; SMN2NPSR1ALDH1A1ADORA3
SCHEMBL5106661 0.78 S1PR4 (0.44) LMNAHTTNPSR1S1PR2S1PR4

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-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 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-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 NLRP3 4354/4885LMNA 4137/4885SMN1; SMN2 2627/4885

“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.