SCHEMBL3889272

SCHEMBL3889272

O=S(=O)(O)C=Cc1nn(Cc2ccccc2)c2c1CSCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
KCNK3 O14649 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRD4 O60885 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL3889267 1.00 HDAC10 (0.35) HDAC10HDAC6MEN1KMT2AMAPT
SCHEMBL4097112 0.84 MEN1 (0.43) MEN1KMT2AMAPTHPGDHTR7
SCHEMBL4097113 0.84 MEN1 (0.43) MEN1KMT2AMAPTHPGDHTR7
SCHEMBL3888189 0.83 HTR7 (0.39) HDAC10HDAC6MEN1KMT2AHTR7
SCHEMBL13866938 0.81 CNR2 (0.42) HDAC10HDAC6MEN1KMT2AMAPT
SCHEMBL4710554 0.81 CNR2 (0.42) HDAC10HDAC6MEN1KMT2AMAPT
SCHEMBL3897246 0.81 HTR2C (0.35) HDAC10HDAC6MEN1KMT2AMAPT
SCHEMBL3897247 0.81 HTR2C (0.35) HDAC10HDAC6MEN1KMT2AMAPT
SCHEMBL13980422 0.81 KMT2A (0.31) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL5285565 0.80 HDAC6 (0.36) HDAC10HDAC6MEN1KMT2AMAPT

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-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 HDAC10 2138/4885HDAC6 1537/4885MEN1 4352/4885
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 HDAC10 2138/4885HDAC6 1537/4885MEN1 4352/4885

“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.