SCHEMBL3894535

SCHEMBL3894535

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
KCNK3 O14649 3/20 0.35
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
BRD4 O60885 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL5285565 1.00 HDAC6 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4097112 0.83 MEN1 (0.43) KCNK3HTR7HTR1AHTR2ATSHR
SCHEMBL4097113 0.83 MEN1 (0.43) KCNK3HTR7HTR1AHTR2ATSHR
SCHEMBL13866959 0.82 CNR2 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13866943 0.82 CNR2 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4711770 0.82 HTR2C (0.34) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3889267 0.80 HDAC10 (0.35) HDAC6HDAC10KCNK3HTR7HTR1A
SCHEMBL3889272 0.80 HDAC10 (0.35) HDAC6HDAC10KCNK3HTR7HTR1A
SCHEMBL13866955 0.78 CNR2 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13866952 0.78 CNR2 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7

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 4 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 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
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.