SCHEMBL4073710

SCHEMBL4073710

C[Si](C)(C)CCOCn1ccnc1CN(Cc1ccc(CC(=O)O)cc1)Cc1nccn1CCCO

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.34
CXCR4 P61073 2/20 0.33
DGAT1 O75907 4/20 0.32
SPTLC1 O15269 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
KLKB1 P03952 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL4077956 0.89 TBXAS1 (0.32) TBXAS1CXCR4DGAT1
SCHEMBL4067316 0.88 DUT (0.37) TBXAS1CXCR4DGAT1
SCHEMBL1794846 0.77 DGAT1 (0.37) DGAT1NR1H3
SCHEMBL2647731 0.70 DGAT1 (0.36) DGAT1KLKB1
SCHEMBL2970649 0.69 NPC1 (0.36) TBXAS1DGAT1KLKB1
SCHEMBL4067312 0.69 DUT (0.33)
SCHEMBL4772025 0.69 LMNA (0.32) DGAT1AGTR1AGTR2KLKB1
SCHEMBL4206991 0.68 KLKB1 (0.33) DGAT1KLKB1
SCHEMBL4196846 0.68 KLKB1 (0.35) TBXAS1DGAT1AGTR1AGTR2KLKB1
SCHEMBL2984964 0.67 DGAT1 (0.36) DGAT1

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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 TBXAS1 1114/4885CXCR4 1/4885DGAT1 3370/4885

“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.