SCHEMBL3890975

SCHEMBL3890975

O=C(O)c1nn(Cc2ccccc2)c2c1C[S+]([O-])CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
KCNK3 O14649 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
BRD4 O60885 1/20 0.36
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL182893 0.79 FABP4 (0.49) HPGDGAAPKMTSHRKCNK3
SCHEMBL300478 0.78 FABP4 (0.50) HPGDGAAPKMTSHRKCNK3
SCHEMBL4886396 0.75 CNR2 (0.45)
SCHEMBL3885212 0.75 HPGD (0.43) HPGDGAAPKMTSHRKCNK3
SCHEMBL5315123 0.75 HTR7 (0.60) HPGDKCNK3HTR7HTR1AHTR2A
SCHEMBL13980433 0.74 MEN1 (0.36) MEN1KMT2ASIGMAR1LMNABRD4
SCHEMBL3898095 0.74 HDAC6 (0.43) HPGDGAAPKMTSHRKCNK3
SCHEMBL5529498 0.73 HPGD (0.46) HPGDGAAPKMTSHRPOLB
SCHEMBL4712108 0.72 TDP1 (0.43) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL5315721 0.72 CREBBP (0.61) KCNK3BRD4EP300CREBBP

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 HPGD 782/4885GAA 3305/4885PKM 2064/4885
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 HPGD 782/4885GAA 3305/4885PKM 2064/4885

“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.