SCHEMBL17280296

SCHEMBL17280296

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nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CTSK P43235 3/20 0.34
CTSS P25774 2/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
HTT P42858 2/20 0.32
DGAT1 O75907 1/20 0.32
NOS1 P29475 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL17280297 1.00 CYP2D6 (0.36) CYP2D6CTSKCTSSTSHRLMNA
SCHEMBL8016917 0.83 CYP2D6 (0.38) CYP2D6CTSKCTSSCA1CA2
SCHEMBL3431573 0.82 PDE4A (0.37) CYP2D6CTSKLMNAKMT2ACA1
SCHEMBL8017153 0.81 LMNA (0.33) CYP2D6CTSKCTSSTSHRLMNA
SCHEMBL32663517 0.80 HTT (0.35) CYP2D6CTSKLMNAKMT2ACA1
SCHEMBL8030378 0.80 HTT (0.40) CYP2D6CTSKLMNAKMT2ACA1
SCHEMBL1845280 0.80 HTT (0.40) CYP2D6CTSKLMNAKMT2ACA1
SCHEMBL8028869 0.80 HTT (0.40) CYP2D6CTSKLMNAKMT2ACA1
SCHEMBL19407016 0.80 HTT (0.40) CYP2D6CTSKLMNAKMT2ACA1
SCHEMBL473223 0.79 TSHR (0.36) CTSKCTSSTSHR

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-9676818-B2 Toll-like receptor 2-agonistic lipopeptides, and method of making the same UNIVERSITY OF KANSAS (US) 2017-06-13 US disclosed
US-20150337009-A1 TOLL-LIKE RECEPTOR 2-AGONISTIC LIPOPEPTIDES, AND METHOD OF MAKING THE SAME UNIVERSITY OF KANSAS 2015-11-26 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-20150337009-A1 TOLL-LIKE RECEPTOR 2-AGONISTIC LIPOPEPTIDES, AND METHOD OF MAKING THE SAME TLR2, TLR3, TLR1 CYP2D6 4363/4885CTSK 3701/4885CTSS 3622/4885

“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.