SCHEMBL4710554

SCHEMBL4710554

C[C@H](NS(=O)(=O)/C=C/c1nn(Cc2ccccc2)c2c1CSCC2)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
IDH1 O75874 1/20 0.33
BRD4 O60885 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
POLB P06746 3/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC10 Q969S8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL13866938 1.00 CNR2 (0.42) CNR2IDH1BRD4EP300CREBBP
SCHEMBL13871731 0.87 CNR2 (0.49) CNR2IDH1BRD4EP300CREBBP
SCHEMBL14003168 0.87 CNR2 (0.49) CNR2IDH1BRD4EP300CREBBP
SCHEMBL13866949 0.85 CNR2 (0.36) CNR2KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL13866948 0.85 CNR2 (0.36) CNR2KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL13866932 0.84 CNR2 (0.39) CNR2IDH1POLBTP53ALDH1A1
SCHEMBL13866925 0.84 CNR2 (0.39) CNR2IDH1POLBTP53ALDH1A1
SCHEMBL13980422 0.83 KMT2A (0.31) KMT2AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL13866959 0.83 CNR2 (0.41) CNR2IDH1BRD4EP300CREBBP
SCHEMBL13866943 0.83 CNR2 (0.41) CNR2IDH1BRD4EP300CREBBP

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
EP-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP claimed
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US disclosed
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-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS LIOTTA FINA 2008-04-10 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 (1 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-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 CNR2 2/4885IDH1 4241/4885BRD4 277/4885

“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.