SCHEMBL22462898

SCHEMBL22462898

O=C(O)N1CC(C[S+]([O-])c2ccc(C(F)(F)F)cc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.39
KMT2A Q03164 2/20 0.38
ACHE P22303 1/20 0.38
TRPV4 Q9HBA0 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CRHR1 P34998 2/20 0.36
S1PR5 Q9H228 2/20 0.35
S1PR1 P21453 1/20 0.35
GRK5 P34947 1/20 0.35
CDK8 P49336 1/20 0.35
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 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
SCHEMBL21722948 1.00 MRGPRX4 (0.39) MRGPRX4KMT2AACHETRPV4LMNA
SCHEMBL28533852 0.86 GPR119 (0.45) MRGPRX4MAPTKDM4E
SCHEMBL22462826 0.82 MRGPRX4 (0.37) MRGPRX4KMT2AACHETRPV4S1PR5
SCHEMBL22462894 0.82 PDK2 (0.37) MRGPRX4KMT2AACHETRPV4LMNA
SCHEMBL21723046 0.82 PDK2 (0.37) MRGPRX4KMT2AACHETRPV4LMNA
Trifluoroacetic Acid SCHEMBL22462825 0.81 SLC6A2 (0.43) MRGPRX4KMT2AACHECRHR1ALDH1A1
Trifluoroacetic Acid SCHEMBL31379706 0.80 TACR1 (0.41) MAPTKDM4E
SCHEMBL31071569 0.75 MGLL (0.65)
SCHEMBL21723055 0.74 MGLL (0.52) MRGPRX4S1PR5S1PR1
SCHEMBL21722897 0.74 PPARD (0.42) MRGPRX4KMT2AACHETRPV4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 US disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US disclosed
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-09-09 US disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 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 (5 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-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MRGPRX4 269/4885KMT2A 1889/4885ACHE 169/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL MRGPRX4 380/4885KMT2A 1333/4885ACHE 175/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL MRGPRX4 369/4885KMT2A 1322/4885ACHE 179/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL MRGPRX4 380/4885KMT2A 1333/4885ACHE 175/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL MRGPRX4 380/4885KMT2A 1333/4885ACHE 175/4885

“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.