SCHEMBL527154

SCHEMBL527154

Cc1ccncc1-c1ccc(N)cc1C(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.42
ABL1 P00519 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAP4K1 Q92918 5/20 0.38
CYP1A2 P05177 3/20 0.37
LCK P06239 1/20 0.37
BTK Q06187 1/20 0.37
SLC22A12 Q96S37 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TDO2 P48775 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2E1 P05181 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C8 P10632 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL5687575 0.80 TSHR (0.50) CYP17A1ABL1TSHRMAP4K1CYP1A2
SCHEMBL527609 0.79 ABL1 (0.45) CYP17A1ABL1MAP4K1CYP1A2LCK
SCHEMBL12707407 0.77 PLA2G7 (0.49) CYP17A1ABL1GAATSHRMAP4K1
SCHEMBL527190 0.75 CYP3A4 (0.48) CYP17A1ABL1GAATSHRMAP4K1
SCHEMBL526580 0.75 CYP17A1 (0.76) CYP17A1SLC22A12
SCHEMBL7086302 0.74 ABL1 (0.44) CYP17A1ABL1MAP4K1CYP1A2LCK
SCHEMBL10272835 0.73 CYP17A1 (0.58) CYP17A1ABL1POLBGAATSHR
SCHEMBL7082047 0.72 PLA2G7 (0.51) CYP17A1ABL1GAATSHRMAP4K1
SCHEMBL3421743 0.71 TDO2 (0.49) CYP17A1ABL1CYP1A2TDO2SIRT3
SCHEMBL29988790 0.71 TDO2 (0.49) CYP17A1ABL1CYP1A2TDO2SIRT3

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 12 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
CN-103209960-A Sulfonamide compounds useful as CYP17 inhibitors BRISTOL MYERS SQUIBB CO 2013-07-17 CN 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 28/4885ABL1 911/4885GLA 3001/4885

“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.