SCHEMBL20485183

SCHEMBL20485183

N=C(N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)O)c1ccccc1)C(=O)CF

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 4/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CYP3A4 P08684 5/20 0.41
▸ CYP2C9 P11712 5/20 0.41
▸ CYP2C19 P33261 5/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ OPRM1 P35372 7/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ OPRK1 P41145 6/20 0.40
▸ F2 P00734 2/20 0.40

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
SCHEMBL20485185 1.00 MALT1 (0.43) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL20485181 1.00 MALT1 (0.43) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL20485178 0.92 MALT1 (0.41) MALT1KCNH2OPRM1OPRK1F2
SCHEMBL20484723 0.92 MALT1 (0.41) MALT1KCNH2OPRM1OPRK1F2
SCHEMBL20485182 0.92 MALT1 (0.41) MALT1KCNH2OPRM1OPRK1F2
SCHEMBL20484726 0.92 MALT1 (0.41) MALT1KCNH2OPRM1OPRK1F2
SCHEMBL20484728 0.92 MALT1 (0.41) MALT1KCNH2OPRM1OPRK1F2
SCHEMBL18619573 0.89 MALT1 (0.53) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL20485174 0.88 OPRM1 (0.49) OPRM1OPRD1OPRK1F2
SCHEMBL20485176 0.88 OPRM1 (0.49) OPRM1OPRD1OPRK1F2

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 MALT1 1/4885KCNH2 4814/4885CYP3A4 1335/4885

“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.

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