SCHEMBL2790754

SCHEMBL2790754

COc1cccc(-c2cc(C(=O)O)c(O)c3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.54
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
GPR35 Q9HC97 2/20 0.52
HPGD P15428 4/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
ALOX12 P18054 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MCL1 Q07820 2/20 0.50
THRB P10828 1/20 0.50
ATIC P31939 1/20 0.50
BCL2L1 Q07817 1/20 0.50
LMNA P02545 1/20 0.49
BRD4 O60885 1/20 0.49

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
SCHEMBL2789131 0.86 SMN1; SMN2 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28006571 0.82 HSD17B10 (0.67) HPGDCYP2C9TSHRALOX12HSD17B10
SCHEMBL5085746 0.81 HNF4A (0.63) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL496484 0.81 KDM4E (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8202718 0.78 PRKAB2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9618861 0.77 HSD17B10 (0.74) GPR35HPGDCYP2C9TSHRALOX12
SCHEMBL6206680 0.75 GPR35 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27722168 0.75 HPGD (0.54) GPR35HPGDCYP2C9TSHRALOX12
SCHEMBL2789467 0.75 MCL1 (0.50) HPGDCYP2C9TSHRALOX12HSD17B10
SCHEMBL2790332 0.75 HSD17B10 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 10 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-1888513-A1 NOVEL TRIFLUOROMETHOXY-SUBSTITUTED ARYL ANILIDES NOVO NORDISK A/S (DK) 2008-02-20 EP 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-2006125778-A1 NOVEL TRIFLUOROMETHOXY-SUBSTITUTED ARYL ANILIDES NOVO NORDISK A/S (DK) 2006-11-30 WO 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-1888513-A1 NOVEL TRIFLUOROMETHOXY-SUBSTITUTED ARYL ANILIDES NOVO NORDISK A/S (DK) 2008-02-20 EP 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-2006125778-A1 NOVEL TRIFLUOROMETHOXY-SUBSTITUTED ARYL ANILIDES NOVO NORDISK A/S (DK) 2006-11-30 WO 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 SERPINE1 4442/4885PRKAB2 1478/4885PRKAG1 2053/4885

“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.