SCHEMBL2789016

SCHEMBL2789016

O=C(O)c1c(S(=O)(=O)c2ccccc2)cc2ccccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2D6 P10635 1/20 0.46
CYP3A4 P08684 1/20 0.45
STAT6 P42226 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
LDHA P00338 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2791312 0.84 NSD2 (0.41) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL2487444 0.83 CYP1A2 (0.51) CYP1A2KDM4EALDH1A1MEN1GLA
SCHEMBL3785702 0.83 HSD17B10 (0.55) CYP1A2KDM4EALDH1A1MEN1GLA
Potassium Ion SCHEMBL10878677 0.81 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1MEN1GLA
SCHEMBL28676901 0.78 ATM (0.51) KDM4EALDH1A1MEN1KMT2ACYP2D6
SCHEMBL10883207 0.75 METAP2 (0.64) ALDH1A1MEN1HPGDKMT2AHSD17B10
SCHEMBL245378 0.75 CYP1A2 (0.62) CYP1A2KDM4EALDH1A1MEN1GLA
SCHEMBL31149178 0.75 CYP1A2 (0.62) CYP1A2KDM4EALDH1A1MEN1GLA
SCHEMBL28686969 0.75 HKDC1 (0.43) KDM4EALDH1A1MEN1KMT2ACYP2D6
SCHEMBL1039309 0.74 CYP1A2 (0.61) CYP1A2KDM4EALDH1A1MEN1GLA

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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US claimed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 EP claimed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 WO claimed
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US disclosed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 EP disclosed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 WO 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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A CYP1A2 403/4885KDM4E 2679/4885ALDH1A1 899/4885

“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.