SCHEMBL22209387

SCHEMBL22209387

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.51
ELANE P08246 9/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
CTSG P08311 1/20 0.47
ACE P12821 4/20 0.47
TAAR1 Q96RJ0 1/20 0.46
ACE2 Q9BYF1 3/20 0.46

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
SCHEMBL22798165 1.00 CMA1 (0.51) CMA1ELANETAS1R3TAS1R1TAS1R2
SCHEMBL22209531 0.92 CMA1 (0.49) CMA1ELANETAS1R3TAS1R1TAS1R2
SCHEMBL18620675 0.92 CMA1 (0.49) CMA1ELANETAS1R3TAS1R1TAS1R2
SCHEMBL22811105 0.91 ACE (0.52) TAS1R3TAS1R1TAS1R2ACEACE2
SCHEMBL20485127 0.89 MEN1 (0.51) ACETAAR1ACE2
SCHEMBL22798176 0.89 ELANE (0.53) CMA1ELANECTSGACE
SCHEMBL18619656 0.89 MEN1 (0.51) ACETAAR1ACE2
SCHEMBL22811291 0.89 ELANE (0.53) CMA1ELANECTSGACE
SCHEMBL18620885 0.89 ELANE (0.53) CMA1ELANECTSGACE
SCHEMBL20485168 0.83 ACE (0.62) ACEACE2

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
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

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 CMA1 130/4885ELANE 2951/4885TAS1R3 3690/4885

“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.