SCHEMBL31689662

SCHEMBL31689662

CC(C)(C)OC(=O)NC(=N)c1ccc2cc(C(=O)O)n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CCR9 P51686 6/20 0.39
▸ CCR2 P41597 4/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ F10 P00742 2/20 0.39
▸ FDPS P14324 1/20 0.39
▸ CMA1 P23946 1/20 0.37
▸ RHEB Q15382 1/20 0.37

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
SCHEMBL21822737 1.00 CTSS (0.42) CTSSCTSKCCR9CCR2MCL1
SCHEMBL31689687 0.91 NQO2 (0.37) CTSSCTSKCCR9CCR2MCL1
SCHEMBL21822112 0.91 NQO2 (0.37) CTSSCTSKCCR9CCR2MCL1
SCHEMBL25016935 0.88 F10 (0.43) CCR2MCL1F10FDPSCMA1
SCHEMBL25015964 0.87 CNR2 (0.39) CTSSCTSKMCL1NQO2F10
SCHEMBL25016919 0.86 CCR2 (0.39) CCR9CCR2MCL1F10FDPS
SCHEMBL25016775 0.86 F10 (0.47) F10
SCHEMBL25016107 0.85 F10 (0.41) NQO2F10
SCHEMBL25017943 0.85 ACHE (0.43) CTSSCTSKMCL1F10
SCHEMBL21822553 0.85 NQO2 (0.44) CTSSCTSKNQO2F10

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 CTSS 610/4885CTSK 266/4885CCR9 2381/4885

“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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