SCHEMBL20485154

SCHEMBL20485154

CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.62
▸ CA2 P00918 1/20 0.56
▸ CA5A P35218 1/20 0.56
▸ CTSK P43235 4/20 0.54
▸ CTSB P07858 3/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CASP7 P55210 3/20 0.54
▸ CASP1 P29466 2/20 0.54
▸ CASP9 P55211 2/20 0.54
▸ CTSD P07339 1/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ CASP8 Q14790 1/20 0.53
▸ ECE1 P42892 3/20 0.51
▸ MME P08473 2/20 0.51

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
SCHEMBL10073939 1.00 CASP3 (0.62) CASP3CA2CA5ACTSKCTSB
SCHEMBL22811283 1.00 CASP3 (0.62) CASP3CA2CA5ACTSKCTSB
SCHEMBL22209445 0.91 CASP3 (0.55) CASP3CA2CA5ACTSKCTSB
SCHEMBL14479029 0.91 CASP3 (0.55) CASP3CA2CA5ACTSKCTSB
SCHEMBL10985362 0.91 CTSS (0.53) CASP3CTSKCTSBCTSLCTSS
SCHEMBL25287172 0.90 ECE1 (0.61) CASP3CTSKCTSBCTSLCTSS
SCHEMBL3058668 0.90 ECE1 (0.61) CASP3CTSKCTSBCTSLCTSS
SCHEMBL14148466 0.89 CTSK (0.65) CASP3CTSKCTSBCTSLCTSS
SCHEMBL25285647 0.89 CTSK (0.65) CASP3CTSKCTSBCTSLCTSS
SCHEMBL25251125 0.89 CTSK (0.65) CASP3CTSKCTSBCTSLCTSS

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
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
US-20180251489-A1 MALT1 INHIBITORS AND USES THEREOF Cornell University Cornell Center for Technology Enterprise & Commercialization (CCTEC) (US) 2018-09-06 — — 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-20180251489-A1 MALT1 INHIBITORS AND USES THEREOF MALT1, BCL3, BCL6 CASP3 1784/4885CA2 3705/4885CA5A 2759/4885

“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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