SCHEMBL15745720

SCHEMBL15745720

COc1cc(N)cc(CO)c1-c1cnccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 2/20 0.41
PDE2A O00408 5/20 0.37
PDE10A Q9Y233 5/20 0.37
PDE5A O76074 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
ABL1 P00519 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PDE6D O43924 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE6H Q13956 1/20 0.36
CYP1A2 P05177 5/20 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
SCHEMBL526795 0.87 CYP11B1 (0.48) CYP11B1CYP11B2CYP17A1PDE2APDE10A
SCHEMBL10021504 0.76 PDE4A (0.48) PDE5AGAAMAPTTSHRMAPK1
SCHEMBL10272835 0.76 CYP17A1 (0.58) CYP11B1CYP11B2CYP17A1PDE2APDE10A
SCHEMBL527730 0.70 CYP17A1 (0.51) CYP11B1CYP11B2CYP17A1PDE2APDE10A
SCHEMBL526484 0.69 KDM4E (0.45) CYP11B1CYP11B2CYP17A1ABL1GAA
SCHEMBL1770449 0.69 CYP11B1 (0.45) CYP11B1CYP11B2GAATSHRCYP1A2
SCHEMBL29829964 0.69 CYP11B1 (0.49) CYP11B1CYP11B2GAATSHRCYP1A2
SCHEMBL5114144 0.69 CYP11B1 (0.49) CYP11B1CYP11B2GAATSHRCYP1A2
SCHEMBL18262925 0.68 AURKA (0.45) GAAMAPTTSHRMAPK1HTT
SCHEMBL12626305 0.68 PDE4A (0.47) PDE5AGAAMAPTTSHRMAPK1

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-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 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-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 CYP11B1 22/4885CYP11B2 38/4885CYP17A1 28/4885

“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.