SCHEMBL5016499

SCHEMBL5016499

O=C(O)c1ccc(OC(F)F)c2oc3ccc(C(F)(F)F)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.46
TBK1 Q9UHD2 1/20 0.45
KCNMA1 Q12791 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4B Q07343 4/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
FFAR1 O14842 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
SCN8A Q9UQD0 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL5022806 0.86 TBK1 (0.47) PDE4DTBK1KCNMA1ALDH1A1HPGD
SCHEMBL5026509 0.82 PDE4D (0.55) PDE4DKDM4ECYP2C19PDE4BPDE4A
SCHEMBL5018032 0.81 PDE4B (0.46) PDE4DTBK1ALDH1A1HPGDKDM4E
SCHEMBL14174056 0.81 PDE4D (0.50) PDE4DPDE4BPDE4ASCN8ASCN10A
SCHEMBL5018018 0.81 PDE4D (0.43) PDE4DTBK1KCNMA1PDE4BPDE4A
SCHEMBL14184542 0.81 PDE4D (0.52) PDE4DPDE4BSCN8ASCN10AMEN1
SCHEMBL1301737 0.80 MAOA (0.43) PDE4DALDH1A1PDE4BPDE4APDE4C
SCHEMBL5017953 0.80 PDE4D (0.73) PDE4DPDE4BPDE4APDE4C
SCHEMBL5016434 0.80 PDE4D (0.49) PDE4DALDH1A1KDM4EPDE4BPDE4A
SCHEMBL3306175 0.80 PDE4D (0.69) PDE4DALDH1A1HPGDHSD17B10PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP disclosed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 US disclosed
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 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 (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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 PDE4D 2321/4885TBK1 1145/4885KCNMA1 2147/4885
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them LTC4S, TSLP, GPR119 PDE4D 2321/4885TBK1 1145/4885KCNMA1 2147/4885

“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.