SCHEMBL31689686

SCHEMBL31689686

CCOC(=N)c1ccc2cc(C(=O)NC3CCC(N)CC3)n(Cc3cccc(C(=O)NCCC(=O)O)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 4/20 0.46
▸ F10 P00742 13/20 0.44
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ F2 P00734 4/20 0.40
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ ST14 Q9Y5Y6 2/20 0.40

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
SCHEMBL28588635 0.93 SMYD3 (0.47) SMYD3F10F2PRSS1PRSS2
SCHEMBL28588633 0.93 SMYD3 (0.47) SMYD3F10F2PRSS1PRSS2
SCHEMBL31689639 0.90 F10 (0.53) SMYD3F10ITGB3ITGA2BF2
SCHEMBL25017076 0.90 F10 (0.53) SMYD3F10ITGB3ITGA2BF2
SCHEMBL28580154 0.87 F10 (0.44) SMYD3F10F2PRSS1PRSS2
SCHEMBL28580156 0.87 F10 (0.44) SMYD3F10F2PRSS1PRSS2
SCHEMBL31689670 0.84 F10 (0.45) SMYD3F10F2PRSS1PRSS2
SCHEMBL28572148 0.83 F10 (0.45) SMYD3F10F2PRSS1PRSS2
SCHEMBL28572149 0.83 F10 (0.45) SMYD3F10F2PRSS1PRSS2
SCHEMBL25017655 0.81 F10 (0.43) SMYD3F10F2

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-12428415-B2 Matriptase 2 inhibitors and uses thereof DISC MEDICINE, INC. (US) 2025-09-30 — — 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-12428415-B2 Matriptase 2 inhibitors and uses thereof MMP7, MATR3, SPINT2 SMYD3 1773/4885F10 1548/4885ITGB3 2374/4885

“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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