SCHEMBL21293823

SCHEMBL21293823

C[Si](C)(C)CCOC(=O)C(CCCCN)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.55
SIRT2 Q8IXJ6 2/20 0.55
SIRT1 Q96EB6 2/20 0.55
SIRT3 Q9NTG7 2/20 0.55
PRSS1 P07477 8/20 0.54
PRSS2 P07478 8/20 0.54
PRSS3 P35030 8/20 0.54
TPSAB1 Q15661 8/20 0.54
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51

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
SCHEMBL21293821 1.00 TLR2 (0.55) TLR2SIRT2SIRT1SIRT3PRSS1
SCHEMBL13722844 0.88 ATM (0.51) ITGB3ITGA2BCTSLCTSS
SCHEMBL5692870 0.87 ITGB3 (0.60) TLR2SIRT2SIRT1SIRT3PRSS1
SCHEMBL9086439 0.87 ITGB3 (0.60) TLR2SIRT2SIRT1SIRT3PRSS1
SCHEMBL17382634 0.87 TLR2 (0.62) TLR2SIRT2SIRT1SIRT3PRSS1
Hydrochloric Acid SCHEMBL7284348 0.86 ITGB3 (0.58) TLR2SIRT2SIRT1SIRT3PRSS1
Hydrochloric Acid SCHEMBL7284342 0.86 ITGB3 (0.58) TLR2SIRT2SIRT1SIRT3PRSS1
SCHEMBL7761772 0.86 PRSS1 (0.44) TLR2SIRT2SIRT1SIRT3PRSS1
SCHEMBL7761868 0.86 PRSS1 (0.44) TLR2SIRT2SIRT1SIRT3PRSS1
SCHEMBL8953566 0.85 SIRT2 (0.59) TLR2SIRT2SIRT1SIRT3PRSS1

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-10973923-B2 Site specific homogeneous with KSP inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US disclosed
US-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-29 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 (2 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-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS KIF5B, KIF15, KIF2C TLR2 4861/4885SIRT2 3240/4885SIRT1 3442/4885
US-10973923-B2 Site specific homogeneous with KSP inhibitors KIF5B, KIF15, KIF2C TLR2 4861/4885SIRT2 3240/4885SIRT1 3442/4885

“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.