SCHEMBL20484656

SCHEMBL20484656

CC(C)C(NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.53
ACE P12821 8/20 0.51
ACE2 Q9BYF1 4/20 0.51
CCR1 P32246 1/20 0.51
ELANE P08246 3/20 0.50
CTSG P08311 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL18619617 1.00 PREP (0.53) PREPACEACE2CCR1ELANE
SCHEMBL20485172 0.97 PREP (0.50) PREPACEACE2CCR1ELANE
SCHEMBL18620887 0.97 PREP (0.50) PREPACEACE2CCR1ELANE
SCHEMBL20484720 0.93 CCR1 (0.53) PREPCCR1ELANECTSG
SCHEMBL18620639 0.93 CCR1 (0.53) PREPCCR1ELANECTSG
SCHEMBL29896591 0.90 ELANE (0.56) PREPELANE
SCHEMBL20485168 0.90 ACE (0.62) PREPACEACE2CCR1MEN1
SCHEMBL18619558 0.90 ACE (0.62) PREPACEACE2CCR1MEN1
SCHEMBL22209498 0.89 PREP (0.52) PREPACECCR1ELANECTSG
SCHEMBL18621640 0.89 PREP (0.52) PREPACECCR1ELANECTSG

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 PREP 1241/4885ACE 4250/4885ACE2 4375/4885

“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.