SCHEMBL2884963

SCHEMBL2884963

CC(=CC#N)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.49
IDO1 P14902 1/20 0.49
PKM P14618 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL2884961 1.00 L3MBTL1 (0.52) L3MBTL1GAAMAPTALDH1A1MEN1
SCHEMBL8344229 1.00 L3MBTL1 (0.52) L3MBTL1GAAMAPTALDH1A1MEN1
SCHEMBL21651099 0.90 SMN1; SMN2 (0.43) L3MBTL1GAAMAPTALDH1A1MEN1
SCHEMBL28825701 0.83 L3MBTL1 (0.59) L3MBTL1GAAMAPTALDH1A1MEN1
SCHEMBL21090669 0.81 L3MBTL1 (0.54) L3MBTL1GAAMAPTALDH1A1MEN1
SCHEMBL5204300 0.78 HSD17B10 (0.54) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL5204312 0.78 HSD17B10 (0.54) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL8342694 0.78 HSD17B10 (0.54) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL18665944 0.78 TP53 (0.56) L3MBTL1GAAMAPTALDH1A1MEN1
SCHEMBL5207675 0.78 TP53 (0.60) L3MBTL1GAAMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350173-B1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INT (DE) 2020-02-12 EP disclosed
EP-3599234-A1 STEREOSELECTIVE PROCESS Boehringer Ingelheim International GmbH (DE) 2020-01-29 EP disclosed
US-10189776-B2 Stereoselective process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-29 US disclosed
US-20180258031-A1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-09-13 US disclosed
EP-3350173-A1 STEREOSELECTIVE PROCESS Boehringer Ingelheim International GmbH (DE) 2018-07-25 EP disclosed
WO-2017046355-A1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-23 WO disclosed
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
EP-1537081-B1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-10-15 EP disclosed
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
EP-1554246-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS Bayer HealthCare AG (DE) 2005-07-20 EP disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 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 (4 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 L3MBTL1 4385/4885GAA 2947/4885MAPT 4727/4885
US-10189776-B2 Stereoselective process CYP4A11, CYP4B1, CYP3A4 L3MBTL1 4885/4885GAA 669/4885MAPT 3256/4885
US-20180258031-A1 STEREOSELECTIVE PROCESS CYP4A11, CYP4B1, CYP3A4 L3MBTL1 4885/4885GAA 669/4885MAPT 3256/4885
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO L3MBTL1 4487/4885GAA 394/4885MAPT 4350/4885

“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.