SCHEMBL72978

SCHEMBL72978

CCOC(=O)c1oc2c(OC(F)F)ccc(C(=O)OCC)c2c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL89654 0.82 SMN1; SMN2 (0.40) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15016128 0.80 PDE4A (0.33) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL73046 0.75 PDE4D (0.44) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL73771 0.72 PDE4D (0.40) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL73450 0.72 ALDH1A1 (0.39) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL73992 0.70 PDE4B (0.39) MEN1KMT2ANPC1MAPTHPGD
SCHEMBL5504865 0.68 ALDH1A1 (0.39) ALDH1A1HPGD
SCHEMBL75082 0.67 ALDH1A1 (0.44) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL18789717 0.67 MEN1 (0.49) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22979125 0.67 TSHR (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR

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
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 US disclosed
US-7943634-B2 Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2011-05-17 US disclosed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 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 (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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A PLK1 2611/4885MEN1 4624/4885GAA 561/4885
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A PLK1 2728/4885MEN1 4541/4885GAA 547/4885

“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.