SCHEMBL527403

SCHEMBL527403

Cc1ccncc1-c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.61
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
KDM1A O60341 1/20 0.52
HSD11B1 P28845 6/20 0.51
BRD4 O60885 1/20 0.51
MAPT P10636 1/20 0.49
HSPD1 P10809 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN5 P54829 1/20 0.48
HSPE1 P61604 1/20 0.48
CYP19A1 P11511 1/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
DRD3 P35462 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL526830 0.86 SGK1 (0.56) SLC22A12CYP11B1CYP11B2BRD4HSPD1
SCHEMBL527101 0.86 POLB (0.61) MAPT
SCHEMBL526713 0.86 SLC22A12 (0.51) SLC22A12TP53THRBCYP11B1CYP11B2
SCHEMBL526361 0.84 UQCRB (0.58) SLC22A12CYP11B1CYP11B2HSD11B1MAPT
SCHEMBL527015 0.84 CYP1A2 (0.55) MAPTPTPN2PTPN1PTPN5
SCHEMBL527026 0.84 SLC22A12 (0.56) SLC22A12BRD4MAPT
SCHEMBL526758 0.84 ALDH1A1 (0.61) MAPTDRD2HTR2AHTR2CDRD3
SCHEMBL527158 0.82 KEAP1 (0.64) SLC22A12CYP11B1CYP11B2BRD4MAPT
SCHEMBL527102 0.82 CYP17A1 (0.66) SLC22A12
SCHEMBL527456 0.81 KMT2A (0.55) MAPTHSPD1PTPN2PTPN1PTPN5

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 17 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-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 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-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 (2 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-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 SLC22A12 104/4885TP53 552/4885THRB 2566/4885
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 SLC22A12 497/4885TP53 565/4885THRB 1900/4885

“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.