SCHEMBL782225

SCHEMBL782225

Cc1nc(-c2ccc(Oc3ccc4c(c3)S(=O)(=O)N(C(=O)OC(C)(C)C)CCO4)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HTT P42858 3/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
HPGD P15428 1/20 0.43
HDAC4 P56524 4/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
SCD5 Q86SK9 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL781929 0.93 LMNA (0.43) LMNARAB9ATSHRNFKB1NFKB2
SCHEMBL765579 0.89 LMNA (0.51) LMNARAB9ATSHRNFKB1NFKB2
SCHEMBL781918 0.83 FAAH (0.39)
SCHEMBL755478 0.81 LMNA (0.46) LMNARAB9ATSHRNFKB1NFKB2
SCHEMBL782015 0.78 GPR119 (0.38) RAB9AHTTNPC1MAPK1GPR119
SCHEMBL782099 0.78 MAPT (0.39) LMNARAB9ANPC1TP53MAPK1
SCHEMBL782871 0.77 GPR119 (0.41) GPR119SCD5
SCHEMBL781904 0.76 GRIA2 (0.40) RAB9ANFKB1NFKB2RELANPC1
SCHEMBL782067 0.75 BACE1 (0.38)
SCHEMBL782217 0.74 GPR119 (0.38) GAAGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569285-B2 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2013-10-29 US disclosed
US-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-03-22 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-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them GABRA1, GRM1, GABRA5 LMNA 3262/4885RAB9A 3419/4885TSHR 820/4885

“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.