SCHEMBL13660770

SCHEMBL13660770

Cc1cccc(Cl)c1S(=O)(=O)C(CCOCC(=O)N1CCC(OCCN2CCCC2)(c2cccc(F)c2)CC1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.33
CCL5 P13501 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
BDKRB1 P46663 2/20 0.31
CCR1 P32246 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL13660769 0.88 CCL5 (0.31) CCR5CCL5BDKRB1TSHRHIF1A
SCHEMBL4292696 0.85 BDKRB1 (0.37) CCR5BDKRB1
SCHEMBL4294660 0.78 NPC1 (0.33) CCR5NPC1PSEN1PSEN2APH1B
SCHEMBL4295145 0.78 BDKRB1 (0.36) BDKRB1CCR1
SCHEMBL4299091 0.77 ALDH1A1 (0.35) CCR5CCR1
SCHEMBL4295264 0.76 CCR1 (0.34) CCR5CCR1
SCHEMBL4300839 0.75 BDKRB1 (0.41) BDKRB1
SCHEMBL4295490 0.74 BDKRB1 (0.60) BDKRB1
SCHEMBL13673260 0.74 KMT2A (0.40) NPC1RAB9ATSHRHIF1AHSD17B10
SCHEMBL3441640 0.74 BDKRB1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
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 CCR5 1354/4885CCL5 2255/4885NPC1 2705/4885

“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.