Sugi Predict

Sugi Predict / Compounds / SCHEMBL1067896

SCHEMBL1067896

SCHEMBL1067896

COc1cc[c]cc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 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
SCHEMBL1062938 0.92 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL900766 0.88 DRD1 (0.30) —
SCHEMBL316596 0.82 CA12 (0.36) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL8674 0.81 CA2 (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL2889290 0.81 CA12 (0.34) CA12CA1CA2CA4CA7
SCHEMBL1066799 0.80 PDE2A (0.33) KMT2AMEN1MAPT
SCHEMBL28251730 0.79 CA2 (0.43) PDE4AKDM4EHTTCA12CA1
SCHEMBL27494520 0.79 CA2 (0.43) PDE4AKDM4EHTTCA12CA1
SCHEMBL2138768 0.79 CA2 (0.43) PDE4AKDM4EHTTCA12CA1
SCHEMBL1067987 0.78 ALDH1A1 (0.32) KMT2AMEN1MAPT

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 — — EP disclosed
WO-2011006886-A2 AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV BASF SE (DE) 2011-01-20 — — WO disclosed
WO-2010149758-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-29 — — WO disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — WO disclosed
US-20060083714-A1 Combination of a pde iv inhibitor and a tnf-alpha antagonist PHARMACIA CORPORATION 2006-04-20 — — 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-20060083714-A1 Combination of a pde iv inhibitor and a tnf-alpha antagonist TNF, PDE4A, PDE3B PDE4B 5/4885PDE4A 2/4885PDE4C 9/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 PDE4B 822/4885PDE4A 932/4885PDE4C 1661/4885

“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.