Sugi Predict

Sugi Predict / Compounds / SCHEMBL3483584

SCHEMBL3483584

SCHEMBL3483584

CC[N+](CC)(CC)Cc1ccc(S(=O)(=O)NCP(=O)([O-])O)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ TSHR P16473 5/20 0.33
▸ HTT P42858 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ LOX P28300 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL3483578 0.90 L3MBTL1 (0.38) L3MBTL1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL4427998 0.65 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL3480445 0.63 SERPINE1 (0.38) L3MBTL1SMN1; SMN2MAPK1LOX
SCHEMBL3480279 0.61 GUSB (0.41) L3MBTL1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL5649583 0.59 KMT2A (0.37) L3MBTL1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3158236 0.58 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2MAPK1ALDH1A1TSHR
Phosphoric Acid SCHEMBL8506894 0.58 CYP1A2 (0.44) KMT2AALDH1A1TSHRLMNAMEN1
Phosphoric Acid SCHEMBL17529946 0.58 CYP1A2 (0.44) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL4715407 0.58 SMN1; SMN2 (0.69) L3MBTL1KMT2ASMN1; SMN2MAPK1ALDH1A1
Phosphoric Acid SCHEMBL28146726 0.57 CYP1A2 (0.43) KMT2AALDH1A1TSHRLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 — — EP claimed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 — — US claimed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 — — EP claimed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 — — WO claimed
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 — — EP disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 — — US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 — — EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 — — WO 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS L3MBTL1 1271/4885KMT2A 1158/4885SMN1; SMN2 3467/4885

“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.