SCHEMBL13660769

SCHEMBL13660769

Cc1cccc(Cl)c1S(=O)(=O)C(CCOCC(=O)N1CCC(OCC[N+]2([O-])CCCC2)(c2cccc(F)c2)CC1)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 1/20 0.31
CCR5 P51681 1/20 0.31
BDKRB1 P46663 1/20 0.30
TSHR P16473 1/20 0.30
HIF1A Q16665 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
SCHEMBL13660770 0.88 CCR5 (0.33) CCL5CCR5BDKRB1TSHRHIF1A
SCHEMBL4298918 0.85 RORC (0.34) BDKRB1
SCHEMBL4292696 0.73 BDKRB1 (0.37) CCR5BDKRB1
SCHEMBL4294660 0.67 NPC1 (0.33) CCR5
SCHEMBL4295145 0.66 BDKRB1 (0.36) BDKRB1
SCHEMBL4299091 0.66 ALDH1A1 (0.35) CCR5
SCHEMBL3313157 0.66 RORC (0.36) BDKRB1TSHRHIF1A
SCHEMBL701988 0.65 BDKRB1 (0.39) CCR5BDKRB1
SCHEMBL4295264 0.65 CCR1 (0.34) CCR5
SCHEMBL4300839 0.64 BDKRB1 (0.41) BDKRB1

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-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 CCL5 2255/4885CCR5 1354/4885BDKRB1 1/4885

“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.