SCHEMBL18619664

SCHEMBL18619664

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.60
CCR1 P32246 1/20 0.53
KCNH2 Q12809 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CMA1 P23946 1/20 0.46
FKBP1A P62942 1/20 0.44
XIAP P98170 1/20 0.44
MLX Q9UH92 1/20 0.44
ACE P12821 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
SCHEMBL22209466 1.00 ELANE (0.60) ELANECCR1KCNH2CYP2C9CYP2C19
SCHEMBL18586364 0.90 ELANE (0.61) ELANECCR1EPHX2MEN1KMT2A
SCHEMBL20484667 0.90 ELANE (0.61) ELANECCR1EPHX2MEN1KMT2A
SCHEMBL18620688 0.89 ELANE (0.58) ELANECCR1KCNH2
SCHEMBL22209518 0.89 ELANE (0.58) ELANECCR1KCNH2
SCHEMBL22209487 0.88 ELANE (0.51) ELANECCR1CYP2C9CYP2C19EPHX2
SCHEMBL18621641 0.88 ELANE (0.51) ELANECCR1CYP2C9CYP2C19EPHX2
SCHEMBL18621630 0.85 TAS1R3 (0.50) ELANECCR1CYP2C9CYP2C19XIAP
SCHEMBL22209536 0.85 TAS1R3 (0.50) ELANECCR1CYP2C9CYP2C19XIAP
SCHEMBL22209426 0.84 ACE (0.57) ELANECCR1KCNH2ACE

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-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 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-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 ELANE 2951/4885CCR1 1717/4885KCNH2 4818/4885

“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.