SCHEMBL526484

SCHEMBL526484

CCOc1cc(N)ccc1-c1cnccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CYP17A1 P05093 6/20 0.45
GRM5 P41594 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ABL1 P00519 1/20 0.41
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
MAP4K1 Q92918 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL527445 0.85 CYP17A1 (0.47) MAPTCYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL527112 0.84 CYP17A1 (0.64) KDM4EMAPTCYP17A1CYP11B1CYP11B2
SCHEMBL10272848 0.84 CYP17A1 (0.64) GAAMAPTCYP17A1CYP11B1CYP11B2
SCHEMBL10272835 0.84 CYP17A1 (0.58) GAAMAPTCYP17A1CYP11B1CYP11B2
SCHEMBL347279 0.81 MAPT (0.63) KDM4EGAAMAPTCYP11B1CYP11B2
SCHEMBL10021510 0.80 MAPT (0.54) KDM4EGAAMAPTMEN1NPC1
SCHEMBL527609 0.78 ABL1 (0.45) KDM4EMAPTCYP17A1CYP11B1CYP11B2
SCHEMBL12707407 0.76 PLA2G7 (0.49) KDM4EGAAMAPTCYP17A1CYP11B1
SCHEMBL526951 0.76 CYP17A1 (0.76) CYP17A1
SCHEMBL5687575 0.75 TSHR (0.50) CYP17A1CYP11B1CYP11B2ABL1MAP4K1

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 KDM4E 2413/4885GAA 1868/4885MAPT 4599/4885

“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.