SCHEMBL18586359

SCHEMBL18586359

CC(C)[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ACE P12821 9/20 0.46
ACE2 Q9BYF1 4/20 0.46
PREP P48147 3/20 0.45
FAP Q12884 2/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CMA1 P23946 1/20 0.44

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
SCHEMBL22798277 1.00 MEN1 (0.53) MEN1KMT2AACEACE2PREP
SCHEMBL22209510 0.90 ALOX5 (0.46) MEN1KMT2APREPFAPDPP8
SCHEMBL22209511 0.90 ALOX5 (0.46) MEN1KMT2APREPFAPDPP8
SCHEMBL22209483 0.89 PREP (0.52) ACEACE2PREPFAPDPP8
SCHEMBL22811300 0.87 PREP (0.47) ACE2PREPFAPDPP8DPP9
SCHEMBL20484700 0.85 MEN1 (0.55) MEN1KMT2AACEACE2ALDH1A1
SCHEMBL3171830 0.85 MEN1 (0.55) MEN1KMT2AACEACE2
SCHEMBL18586197 0.85 MEN1 (0.55) MEN1KMT2AACEACE2ALDH1A1
SCHEMBL20484757 0.84 FAP (0.62) MEN1KMT2APREPFAP
SCHEMBL18619651 0.84 FAP (0.62) MEN1KMT2APREPFAP

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 5 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-20180251489-A1 MALT1 INHIBITORS AND USES THEREOF Cornell University Cornell Center for Technology Enterprise & Commercialization (CCTEC) (US) 2018-09-06 US disclosed
EP-3341007-A1 MALT1 INHIBITORS AND USES THEREOF Cornell University (US) 2018-07-04 EP 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 (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 MEN1 203/4885KMT2A 2424/4885ACE 4250/4885
US-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 MEN1 278/4885KMT2A 2297/4885ACE 4214/4885

“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.