SCHEMBL527730

SCHEMBL527730

COc1cc(N)c(C)cc1-c1cnccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.51
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP1A2 P05177 5/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE2A O00408 6/20 0.41
PDE10A Q9Y233 6/20 0.41
PDE5A O76074 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
ABL1 P00519 1/20 0.40
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE6H Q13956 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL10272835 0.81 CYP17A1 (0.58) CYP17A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL526795 0.78 CYP11B1 (0.48) CYP17A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL526941 0.74 CYP17A1 (0.70) CYP17A1
SCHEMBL3421743 0.73 TDO2 (0.49) CYP17A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL29988790 0.73 TDO2 (0.49) CYP17A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL15784053 0.72 LCK (0.46) CYP17A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL30309922 0.72 LCK (0.46) CYP17A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL16385596 0.71 CYP11B1 (0.63) CYP17A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL7086302 0.70 ABL1 (0.44) CYP17A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL28456459 0.70 PGR (0.45) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9

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
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
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
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 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-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 CYP17A1 28/4885CYP11B1 22/4885CYP11B2 38/4885

“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.