Sugi Predict

Sugi Predict / Compounds / SCHEMBL3379859

SCHEMBL3379859

SCHEMBL3379859

O=C(NCC1CCCCC1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.55
▸ MLYCD O95822 1/20 0.55
▸ EPHX1 P07099 4/20 0.55
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ MMP1 P03956 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP3 P08254 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ HDAC4 P56524 3/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ OPRK1 P41145 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3381027 0.98 HDAC6 (0.53) HDAC6MLYCDEPHX1CA12CA1
SCHEMBL3383177 0.94 HDAC6 (0.49) HDAC6MLYCDEPHX1CA12CA1
SCHEMBL9431190 0.90 TDP1 (0.52) HDAC6MLYCDEPHX1CA12CA1
SCHEMBL12073329 0.85 EPHX1 (0.52) HDAC6MLYCDEPHX1CA12CA1
SCHEMBL10248340 0.85 EPHX1 (0.56) HDAC6MLYCDEPHX1CA12CA1
SCHEMBL629852 0.82 EPHX1 (0.56) HDAC6MLYCDEPHX1CA12CA2
SCHEMBL19652077 0.82 EPHX1 (0.57) HDAC6MLYCDEPHX1CA12CA1
SCHEMBL1709299 0.82 EPHX1 (0.57) HDAC6MLYCDEPHX1CA12CA1
SCHEMBL2733865 0.81 ALOX15 (0.51) HDAC6MLYCDEPHX1ALDH1A1POLB
SCHEMBL4765060 0.81 TDP1 (0.48) HDAC6MLYCDEPHX1CA12CA2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071191-B2 Non-imidazole aryloxypiperidines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-07-04 — — US claimed
EP-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 — — EP disclosed
EP-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 — — EP disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 — — US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 — — US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 — — US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 — — US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 — — US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 — — US disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 — — US disclosed
EP-1878725-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 — — EP disclosed
CN-100351239-C Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2007-11-28 — — CN disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 — — US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 — — US disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 — — US disclosed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 — — EP disclosed
CN-1688552-A Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2005-10-26 — — CN disclosed
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 — — WO disclosed
EP-1539712-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS CB2 MODULATORS GLAXO GROUP LIMITED (GB) 2005-06-15 — — EP disclosed
WO-2004018433-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS CB2 MODULATORS GLAXO GROUP LIMITED (GB) 2004-03-04 — — 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 (3 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-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators CNR2, CNR1, P2RX3 HDAC6 3644/4885MLYCD 3007/4885EPHX1 461/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 HDAC6 3869/4885MLYCD 2447/4885EPHX1 524/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A HDAC6 639/4885MLYCD 2823/4885EPHX1 1017/4885

“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.