SCHEMBL13880735

SCHEMBL13880735

CCCN(C)CCOS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
CA2 P00918 3/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
DNM1 Q05193 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
SCHEMBL24490899 0.88 KDM5A (0.37) CA1HTR1DHTR1BCA2CA12
SCHEMBL12798933 0.85 CHRNB2 (0.33) KDM5AKDM4C
SCHEMBL23136946 0.81 USP2 (0.46) CA1HTR1DHTR1BCA2CA12
SCHEMBL11296226 0.78 CHRM2 (0.43) CA1CA2CA12DNM1
SCHEMBL24490900 0.78 CA1 (0.33) CA1CA2CA12CA14
SCHEMBL24490817 0.77 ALDH1A1 (0.35) DNM1
SCHEMBL24490913 0.77 SLC6A2 (0.31)
SCHEMBL13934176 0.76 CA1 (0.32) CA1HTR1DHTR1BCA2CA12
SCHEMBL24490901 0.76 SLC6A2 (0.33)
SCHEMBL24490858 0.75 MEN1 (0.43) DNM1

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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 CA1 2967/4885HTR1D 4254/4885HTR1B 3741/4885

“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.