SCHEMBL6424007

SCHEMBL6424007

CC(C)(C)OC(=O)N(Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.43
ABCB1 P08183 1/20 0.41
SNCA P37840 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
MAOB P27338 1/20 0.40
EPHX2 P34913 1/20 0.40
HTT P42858 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
RORC P51449 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CTBP2 P56545 1/20 0.39

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
SCHEMBL1009189 0.94 NSD2 (0.45) NSD2ABCB1SNCAMEN1NPC1
SCHEMBL7465397 0.87 TSHR (0.44) NSD2ABCB1MAOBEPHX2POLB
SCHEMBL7465402 0.85 PPARA (0.40) NSD2SNCAMEN1NPC1KMT2A
SCHEMBL7233237 0.84 NSD2 (0.53) NSD2SNCAMEN1NPC1KMT2A
SCHEMBL23013509 0.83 XDH (0.38) ABCB1FNTAFNTB
SCHEMBL18301296 0.82 CACNA1H (0.38) ABCB1CTSLCTSBCTSSFNTA
SCHEMBL1009190 0.82 NSD2 (0.42) NSD2ABCB1SNCAMEN1NPC1
SCHEMBL7401773 0.81 HTT (0.51) NSD2SNCAMEN1NPC1KMT2A
SCHEMBL20446482 0.81 ABCB1 (0.39) ABCB1CTSLCTSBCTSS
SCHEMBL27153345 0.81 TRPA1 (0.46) CTSLCTSBCTSS

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022038500-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LIMITED (IN) 2022-02-24 WO disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL NSD2 4594/4885ABCB1 367/4885SNCA 3439/4885

“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.