SCHEMBL526777

SCHEMBL526777

CCS(=O)(=O)Nc1ccc(-c2cnccc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KIF11 P52732 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46
CYP17A1 P05093 6/20 0.46
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
PTGS2 P35354 3/20 0.45
MAPK1 P28482 1/20 0.44
BRD4 O60885 2/20 0.43
PTGS1 P23219 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL526840 0.90 BRAF (0.49) HPGDMAPTL3MBTL1LMNANAMPT
SCHEMBL526918 0.88 HPGD (0.59) HPGDMAPTL3MBTL1LMNANAMPT
SCHEMBL526948 0.86 CYP17A1 (0.47) HPGDMAPTL3MBTL1CYP17A1PTGS2
SCHEMBL527444 0.85 CYP17A1 (0.49) HPGDMAPTL3MBTL1KIF11CYP17A1
SCHEMBL527069 0.85 CYP17A1 (0.61) HPGDKIF11CYP17A1PTGS2PTGS1
SCHEMBL527415 0.83 CYP17A1 (0.59) HPGDMAPTL3MBTL1LMNAHTT
SCHEMBL526656 0.82 CYP17A1 (0.51) HPGDMAPTL3MBTL1LMNANAMPT
SCHEMBL527071 0.82 CYP17A1 (0.51) HPGDMAPTL3MBTL1KIF11HTT
SCHEMBL526867 0.81 CYP17A1 (0.53) CYP17A1ALDH1A1PTGS2PTGS1
SCHEMBL528526 0.79 NPSR1 (0.44) MAPTL3MBTL1CYP17A1ALDH1A1MAPK1

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 16 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 claimed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US claimed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US claimed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP claimed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO claimed
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 HPGD 124/4885MAPT 4599/4885L3MBTL1 4650/4885

“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.