SCHEMBL3898095

SCHEMBL3898095

O=C(O)c1nn(Cc2ccccc2)c2c1CS(=O)(=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HPGD P15428 1/20 0.42
KCNK3 O14649 3/20 0.41
PIK3CD O00329 2/20 0.40
PIK3R2 O00459 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3R5 Q8WYR1 2/20 0.40
PIK3R3 Q92569 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4878941 0.82 ALDH1A1 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL182893 0.80 FABP4 (0.49) HPGDKCNK3GAAPKMTSHR
SCHEMBL300478 0.79 FABP4 (0.50) HPGDKCNK3GAAPKMTSHR
SCHEMBL3894535 0.76 HDAC6 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5285565 0.76 HDAC6 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3885212 0.76 HPGD (0.43) HDAC6HDAC10HPGDKCNK3GAA
SCHEMBL5315123 0.76 HTR7 (0.60) HDAC6HDAC1HPGDKCNK3HTR7
SCHEMBL5315721 0.76 CREBBP (0.61) KCNK3IDH1BRD4EP300CREBBP
SCHEMBL4881359 0.75 CNR2 (0.45)
SCHEMBL3890975 0.74 HPGD (0.41) HPGDKCNK3GAAPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US claimed
EP-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP claimed
EP-1863479-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-12 EP claimed
WO-2006107561-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-12 WO claimed
US-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-05 US claimed
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US disclosed
EP-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP disclosed
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS LIOTTA FINA 2008-04-10 US disclosed
EP-1863479-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-12 EP disclosed
WO-2006107561-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-12 WO disclosed
US-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-05 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-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators CNR1, CNR2, GPR18 HDAC6 1537/4885HDAC3 610/4885HDAC4 2060/4885
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 HDAC6 1537/4885HDAC3 610/4885HDAC4 2060/4885

“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.