SCHEMBL18619561

SCHEMBL18619561

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.61
▸ CTSK P43235 4/20 0.53
▸ CTSB P07858 3/20 0.53
▸ CTSL P07711 2/20 0.53
▸ CCR1 P32246 2/20 0.52
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CTSS P25774 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ PREP P48147 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL22798219 1.00 CAPN1 (0.61) CAPN1CTSKCTSBCTSLCCR1
SCHEMBL18619560 1.00 CAPN1 (0.61) CAPN1CTSKCTSBCTSLCCR1
SCHEMBL22798286 1.00 CAPN1 (0.61) CAPN1CTSKCTSBCTSLCCR1
SCHEMBL18620610 0.92 CAPN1 (0.59) CAPN1CTSKCTSBCTSLCCR1
SCHEMBL22209493 0.92 CAPN1 (0.59) CAPN1CTSKCTSBCTSLCCR1
SCHEMBL9415824 0.89 CAPN1 (0.57) CAPN1CTSKCTSBCTSLCCR1
SCHEMBL22364699 0.88 CAPN1 (0.54) CAPN1CTSKCTSBCTSLCCR1
SCHEMBL30896685 0.84 CAPN1 (0.53) CAPN1CTSKCTSBCTSL
SCHEMBL1506251 0.82 ACE (0.61) CAPN1CTSKCTSBCTSLCCR1
SCHEMBL10063674 0.82 ACE (0.61) CAPN1CTSKCTSBCTSLCCR1

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 4 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
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 — — US disclosed
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 — — WO 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-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 CAPN1 763/4885CTSK 1748/4885CTSB 887/4885

“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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