SCHEMBL2881652

SCHEMBL2881652

COCCOC(=O)/C=C(/C)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 5/20 0.55
GAA P10253 3/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
RXFP1 Q9HBX9 3/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALOX12 P18054 1/20 0.48
TP53 P04637 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 1/20 0.47
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 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
SCHEMBL8340686 1.00 SMN1; SMN2 (0.57) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL2881655 1.00 SMN1; SMN2 (0.57) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL2884097 0.87 MAPT (0.55) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL5474703 0.87 MAPT (0.55) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL2884095 0.87 MAPT (0.55) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL2879004 0.86 MAPT (0.67) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL13377982 0.86 MAPT (0.67) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL2879006 0.86 MAPT (0.67) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL2886903 0.86 MAPT (0.50) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL13377984 0.86 MAPT (0.50) SMN1; SMN2MAPTGAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
EP-1537081-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2005-06-08 EP disclosed
WO-2004020412-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE 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 (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-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO SMN1; SMN2 2778/4885MAPT 4350/4885GAA 394/4885

“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.