Sugi Predict

Sugi Predict / Compounds / SCHEMBL3483617

SCHEMBL3483617

SCHEMBL3483617

NCCCOc1ccc(C(=O)Nc2ccc3sc(S(=O)(=O)NCP(=O)(O)OC(=O)C(F)(F)F)cc3c2)cc1OCCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 5/20 0.36
▸ CTNNB1 P35222 5/20 0.36
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL3483655 0.92 KMT2A (0.33) BCL9CTNNB1MAPTPDGFRBKDR
Trifluoroacetic Acid SCHEMBL3483609 0.90 BCL9 (0.37) BCL9CTNNB1MAPTPOLBPDGFRB
SCHEMBL3484141 0.89 HDAC1 (0.32) MAPTPDGFRBKDRTRPV1LMNA
SCHEMBL3483512 0.89 BCL9 (0.38) BCL9CTNNB1MAPTPOLBPDGFRB
Trifluoroacetic Acid SCHEMBL14931491 0.82 KCNQ3 (0.35) BCL9CTNNB1PDGFRBKDRS1PR1
Trifluoroacetic Acid SCHEMBL3483645 0.82 PDGFRB (0.33) BCL9CTNNB1MAPTPDGFRBKDR
SCHEMBL13032362 0.81 KCNQ3 (0.37) BCL9CTNNB1PDGFRBKDR
SCHEMBL3483292 0.81 KMT2A (0.36) BCL9CTNNB1MAPTPDGFRBKDR
Trifluoroacetic Acid SCHEMBL3484128 0.79 CA12 (0.36) PDGFRBKDR
SCHEMBL3480605 0.78 TOP1 (0.35) MAPTPOLBPDGFRBKDRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BCL9 1878/4885CTNNB1 1397/4885MAPT 3993/4885

“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.