SCHEMBL23209040

SCHEMBL23209040

C[Si](C)(C)CCOCn1cc(I)c2ncc(N3CC[C@@H](NC(=O)O)[C@@H](F)C3)nc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.35
▸ KLKB1 P03952 1/20 0.34
▸ EGFR P00533 1/20 0.32
▸ SSTR4 P31391 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
SCHEMBL23209115 1.00 DGAT1 (0.35) DGAT1KLKB1EGFRSSTR4
SCHEMBL23208715 1.00 DGAT1 (0.35) DGAT1KLKB1EGFRSSTR4
SCHEMBL23209044 1.00 DGAT1 (0.35) DGAT1KLKB1EGFRSSTR4
SCHEMBL23209131 0.90 CKS1B (0.36) DGAT1
SCHEMBL23208999 0.90 CKS1B (0.36) DGAT1
SCHEMBL23208716 0.90 CKS1B (0.36) DGAT1
SCHEMBL23208902 0.82 PTPN11 (0.36) DGAT1KLKB1
SCHEMBL23208806 0.82 PTPN11 (0.51) —
SCHEMBL23208873 0.82 PTPN11 (0.51) —
SCHEMBL23208755 0.79 DGAT1 (0.35) DGAT1KLKB1

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-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 — — 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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 DGAT1 4132/4885KLKB1 2499/4885EGFR 1551/4885

“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.

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