SCHEMBL23747902

SCHEMBL23747902

CC(C)(C)OC(=O)NNCc1ccc(F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
APLNR P35414 1/20 0.38
NAMPT P43490 2/20 0.37
CYP17A1 P05093 1/20 0.37
GRM2 Q14416 1/20 0.37
HDAC1 Q13547 2/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ESRRG P62508 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL29859843 0.86 L3MBTL1 (0.52) GAAL3MBTL1NAMPTGRM2HDAC1
SCHEMBL21847324 0.85 GAA (0.43) GAAL3MBTL1APLNRNAMPTCYP17A1
SCHEMBL20581334 0.84 KCNQ3 (0.46) GAAL3MBTL1NAMPTCYP3A4LMNA
SCHEMBL29401139 0.84 KCNQ3 (0.46) GAAL3MBTL1NAMPTCYP3A4LMNA
SCHEMBL1668799 0.81 GAA (0.50) GAAL3MBTL1APLNRGRM2MEN1
SCHEMBL4434314 0.78 CA1 (0.47) GAAL3MBTL1NAMPTCYP3A4CA12
SCHEMBL6445761 0.78 ESRRG (0.55) GAAL3MBTL1APLNRNAMPTCA12
SCHEMBL9971059 0.77 GAA (0.51) GAAL3MBTL1NAMPTMEN1NPC1
SCHEMBL6236607 0.77 GAA (0.51) GAAL3MBTL1MEN1NPC1RAB9A
SCHEMBL9439389 0.77 CYP3A4 (0.59) GAAL3MBTL1NAMPTCYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-17 US disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
EP-3863713-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-08-18 EP disclosed
CN-112839711-A Phenyltetrazole derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2021-05-25 CN 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-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 GAA 1369/4885L3MBTL1 3034/4885APLNR 1217/4885
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors KLKB1, SERPINE1, SERPINB1 GAA 1369/4885L3MBTL1 3034/4885APLNR 1217/4885

“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.