SCHEMBL13022862

SCHEMBL13022862

N#Cc1ccc(OP(=O)(O)CNS(=O)(=O)c2cc3cc(OCCNC(=O)c4ccc(O)cc4)c(OCCNC(=O)c4ccc(O)cc4)cc3s2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 10/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL12979139 0.94 TRPV4 (0.37) TRPV4RAB9AKMT2A
SCHEMBL13021921 0.93 TRPV4 (0.32) TRPV4
SCHEMBL12979418 0.93 TRPV4 (0.33) TRPV4
SCHEMBL3480108 0.93 TRPV4 (0.32) TRPV4
SCHEMBL13021140 0.92 MCHR1 (0.34) TRPV4RAB9A
SCHEMBL13022857 0.92 KMT2A (0.35) TRPV4RAB9AALDH1A1KMT2A
SCHEMBL3480088 0.92 PTGDR2 (0.35) TRPV4RAB9AALDH1A1
SCHEMBL12979498 0.92 TRPV4 (0.34) TRPV4RAB9AKMT2A
SCHEMBL12979512 0.91 XDH (0.33) TRPV4
SCHEMBL3480317 0.90 XDH (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 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 (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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 TRPV4 4778/4885RAB9A 1592/4885ALDH1A1 2755/4885

“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.