SCHEMBL617543

SCHEMBL617543

Cc1[nH]c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
CCNA1 P78396 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 2/20 0.51
LMNA P02545 2/20 0.51
BRD4 O60885 2/20 0.51
MAPK1 P28482 1/20 0.50
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
SGK1 O00141 4/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
MCL1 Q07820 2/20 0.48

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
SCHEMBL14018661 0.90 ITGA1 (0.50) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL618067 0.83 BRD4 (0.56) MAPTLMNABRD4EDNRBEDNRA
SCHEMBL3299102 0.81 BRD4 (0.51) ALDH1A1MAPTTP53BRD4
SCHEMBL30547019 0.73 LMNA (0.56) ALDH1A1MAPTLMNAHPGDHSP90AA1
SCHEMBL9843379 0.73 LMNA (0.56) ALDH1A1MAPTLMNAHPGDHSP90AA1
SCHEMBL25453798 0.73 CDK1 (0.68) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL30161399 0.73 CDK1 (0.68) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL14403379 0.72 MEN1 (0.62) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL5383562 0.72 BRD4 (0.70) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL13615072 0.72 CDK1 (0.63) CDK1CCNB1CCNA2CDK2CDK7

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
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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 (4 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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 CDK1 1159/4885CCNB1 1066/4885CCNA2 1618/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 CDK1 736/4885CCNB1 536/4885CCNA2 546/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 CDK1 736/4885CCNB1 536/4885CCNA2 546/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 CDK1 672/4885CCNB1 504/4885CCNA2 326/4885

“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.