SCHEMBL31449989

SCHEMBL31449989

C[C@H](/C=C\[S+](C)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CTSK P43235 12/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CTSS P25774 4/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CAPN1 P07384 1/20 0.33

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
SCHEMBL8364667 0.78 CYP2D6 (0.46) CA1CA2CA7CTSKCYP2D6
SCHEMBL18534649 0.78 CA1 (0.51) CA1CA2CA7CTSKCYP2D6
SCHEMBL25032154 0.78 CA1 (0.47) CA1CA2CA7CTSKCYP2D6
SCHEMBL19015811 0.77 CTSK (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL26321179 0.76 CA1 (0.46) CA1CA2CA7CTSKCYP2D6
SCHEMBL3096574 0.75 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL31450038 0.75 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL20334633 0.75 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL3096580 0.75 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL23314753 0.75 CA1 (0.45) CA1CA2CA7CTSKCYP2D6

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-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. 2025-01-23 — — 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-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K KRAS, HRAS, NRAS CA1 4347/4885CA2 3649/4885CA7 3489/4885

“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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