SCHEMBL3483976

SCHEMBL3483976

N#Cc1ccc(OP(=O)(CNS(=O)(=O)c2cc3cc(OCCNC(=O)c4cccc(O)c4O)c(OCCN)cc3s2)Oc2ccc(C#N)c(F)c2)cc1F

nearest known ligand 0.35

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 0.95 TRPV4 (0.33) TRPV4ALOX5ALDH1A1LMNAGAA
SCHEMBL3483982 0.95 TRPV4 (0.33) TRPV4ALOX5ALDH1A1LMNAGAA
SCHEMBL13021466 0.92 TRPV4 (0.33) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14943027 0.90 ALDH1A1 (0.32) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14943026 0.90 ALDH1A1 (0.32) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4559091 0.89 ALOX5 (0.31) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16684145 0.87 AR (0.33) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13022858 0.84 AR (0.35) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL12979688 0.83 TRPV4 (0.34) TRPV4ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14931376 0.83 ALOX5 (0.32) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9

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 4 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
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.