SCHEMBL5100355

SCHEMBL5100355

Cc1cccc(-c2cccc(C)c2NC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.43
CHRM3 P20309 7/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NLRP3 Q96P20 1/20 0.36
PTPN5 P54829 1/20 0.36
PDK2 Q15119 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35
KMT2A Q03164 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL5107150 0.89 PTGER2 (0.38) S1PR4CHRM3NLRP3MEN1ALDH1A1
SCHEMBL5106661 0.88 S1PR4 (0.44) S1PR4CHRM3PDK2LMNA
SCHEMBL5112474 0.88 NLRP3 (0.37) S1PR4NLRP3PDK2LMNAKMT2A
SCHEMBL5106742 0.86 CHRNA7 (0.39) S1PR4NLRP3LMNA
SCHEMBL5111878 0.84 SLC6A4 (0.41) S1PR4NLRP3PDK2LMNA
SCHEMBL5103336 0.83 CHRNA7 (0.44) CHRM3PDK2MEN1LMNAKMT2A
SCHEMBL5103798 0.82 CHRM3 (0.44) CHRM3
SCHEMBL5099275 0.82 IDH2 (0.41) CHRM3HSD17B10L3MBTL1AKR1C3AKR1C2
Trifluoroacetic Acid SCHEMBL5100344 0.82 S1PR4 (0.46) S1PR4HSD17B10L3MBTL1PTPN5PDK2
SCHEMBL5111908 0.80 NLRP3 (0.39) S1PR4NLRP3PDK2ALDH1A1LMNA

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 S1PR4 547/4885CHRM3 1/4885HSD17B10 2972/4885

“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.