SCHEMBL3483982

SCHEMBL3483982

N#Cc1ccc(OP(=O)(O)CNS(=O)(=O)c2cc3cc(OCCNC(=O)c4cccc(O)c4O)c(OCCN)cc3s2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 11/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16684148 1.00 TRPV4 (0.33) TRPV4ALOX5ALDH1A1LMNAGAA
SCHEMBL13021466 0.97 TRPV4 (0.33) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3483976 0.95 TRPV4 (0.33) TRPV4ALOX5ALDH1A1LMNAGAA
SCHEMBL14943026 0.95 ALDH1A1 (0.32) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14943027 0.95 ALDH1A1 (0.32) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL16684145 0.92 AR (0.33) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4559091 0.90 ALOX5 (0.31) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13022858 0.89 AR (0.35) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL12979688 0.89 TRPV4 (0.34) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13031985 0.88 TRPV4 (0.36) TRPV4

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
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
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 TRPV4 4788/4885ALOX5 2269/4885ALDH1A1 2190/4885

“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.