SCHEMBL18619615

SCHEMBL18619615

CC(C)[C@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.50
▸ ACE2 Q9BYF1 4/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ PREP P48147 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CMA1 P23946 1/20 0.47

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
SCHEMBL20484748 1.00 ACE (0.50) ACEACE2TAAR1PREPMEN1
SCHEMBL18621642 0.90 TAAR1 (0.49) ACETAAR1PREPCMA1
SCHEMBL22209497 0.90 TAAR1 (0.49) ACETAAR1PREPCMA1
SCHEMBL18619558 0.88 ACE (0.62) ACEACE2PREPMEN1KMT2A
SCHEMBL20485168 0.88 ACE (0.62) ACEACE2PREPMEN1KMT2A
SCHEMBL18619617 0.87 PREP (0.53) ACEACE2PREPMEN1KMT2A
SCHEMBL20484656 0.87 PREP (0.53) ACEACE2PREPMEN1KMT2A
SCHEMBL18619656 0.86 MEN1 (0.51) ACEACE2TAAR1PREPMEN1
SCHEMBL20485127 0.86 MEN1 (0.51) ACEACE2TAAR1PREPMEN1
SCHEMBL22798354 0.85 TAAR1 (0.48) ACEACE2TAAR1PREPMEN1

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 3 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
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-20180251489-A1 MALT1 INHIBITORS AND USES THEREOF MALT1, BCL3, BCL6 ACE 4250/4885ACE2 4375/4885TAAR1 4563/4885

“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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