SCHEMBL3948765

SCHEMBL3948765

O=S(=O)(Cl)c1cc(Br)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 2/20 0.36
CA1 P00915 9/20 0.35
CA2 P00918 9/20 0.35
CA9 Q16790 6/20 0.35
CA12 O43570 3/20 0.34
CA3 P07451 3/20 0.34
CA4 P22748 3/20 0.34
CA6 P23280 3/20 0.34
CA5A P35218 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA5B Q9Y2D0 3/20 0.34
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.31
CA13 Q8N1Q1 2/20 0.31
CISD1 Q9NZ45 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
SCHEMBL2991536 0.84 TRPV4 (0.38) TRPV4CA1CA2CA9CA12
SCHEMBL1349380 0.83 CA1 (0.35) TRPV4KDM1AKDM1BCA1CA2
SCHEMBL1036725 0.83 TRPV4 (0.47) TRPV4CA1CA2CA9CA12
SCHEMBL3947216 0.82 KDM1A (0.35) KDM1AKDM1BCA1CA2CA9
SCHEMBL3948181 0.81 TRPV4 (0.46) TRPV4KDM1AKDM1BCA1CA2
SCHEMBL29835220 0.79 PKM (0.38) TRPV4KDM1AKDM1BCA1CA2
SCHEMBL384682 0.79 PKM (0.38) TRPV4KDM1AKDM1BCA1CA2
SCHEMBL26978287 0.79 TRPV4 (0.44) TRPV4CA1CA2CA9CA12
SCHEMBL17203518 0.78 POLB (0.37) TRPV4KDM1AKDM1BCA1CA2
SCHEMBL3912870 0.77 TRPV4 (0.46) TRPV4CA1CA2CA9CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF TRPV4 4201/4885KDM1A 2925/4885KDM1B 3306/4885

“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.