SCHEMBL20484685

SCHEMBL20484685

COC(=O)[C@@H]1CCCN1C(=O)C(C(C)C)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
PREP P48147 3/20 0.47
ACE P12821 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CTRB1 P17538 1/20 0.43

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
SCHEMBL18620609 1.00 FKBP1A (0.53) FKBP1AALDH1A1CYP3A4TSHRPREP
SCHEMBL18619556 0.91 ACE (0.53) PREPACELMNASIGMAR1
SCHEMBL22798190 0.91 ACE (0.53) PREPACELMNASIGMAR1
SCHEMBL18620613 0.83 FKBP1A (0.47) FKBP1AALDH1A1CYP3A4TSHRPREP
SCHEMBL12566938 0.82 PEPD (0.46) FKBP1AACELMNA
SCHEMBL10660541 0.81 ACE (0.54) PREPACELMNA
SCHEMBL1506200 0.80 ALDH1A1 (0.62) FKBP1AALDH1A1CYP3A4TSHRPREP
SCHEMBL30051146 0.80 ALDH1A1 (0.62) FKBP1AALDH1A1CYP3A4TSHRPREP
SCHEMBL22209363 0.80 ALDH1A1 (0.62) FKBP1AALDH1A1CYP3A4TSHRPREP
SCHEMBL8198229 0.80 PREP (0.70) FKBP1AALDH1A1CYP3A4TSHRPREP

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
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US disclosed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US 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 (2 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 FKBP1A 140/4885ALDH1A1 2522/4885CYP3A4 1335/4885
US-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 FKBP1A 163/4885ALDH1A1 2550/4885CYP3A4 1410/4885

“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.