SCHEMBL1127552

SCHEMBL1127552

C=CCN(C(=O)O)c1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
EGFR P00533 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RIPK2 O43353 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ALOX5 P09917 3/20 0.34
PTGS2 P35354 2/20 0.34
AR P10275 3/20 0.34
LMNA P02545 1/20 0.34
BRAF P15056 1/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL1127124 0.92 MEN1 (0.36) KCNH2MEN1KMT2AEGFRALOX15
SCHEMBL1127292 0.90 KMT2A (0.36) KCNH2MEN1KMT2AEGFRALOX15
SCHEMBL1127477 0.88 KCNH2 (0.37) KCNH2MEN1KMT2AEGFRALOX15
SCHEMBL2191422 0.85 NR1I2 (0.36) KCNH2EGFRBRAF
SCHEMBL1875851 0.84 MEN1 (0.32) MEN1KMT2AALOX15HSD17B10
SCHEMBL1127341 0.81 BRAF (0.43) RIPK2BRAF
SCHEMBL1127641 0.81 BRAF (0.40) EGFRRIPK2BRAF
SCHEMBL12349963 0.81 BRAF (0.38) KCNH2MEN1KMT2AEGFRRIPK2
SCHEMBL3884359 0.80 KCNH2 (0.42) KCNH2MEN1KMT2AEGFRRIPK2
SCHEMBL1127145 0.79 KCNH2 (0.44) KCNH2EGFRALOX15RIPK2ALOX5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2016-03-10 US disclosed
US-7994185-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo Smith Kline LLC (US) 2011-08-09 US disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed
EP-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP 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-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 KCNH2 1701/4885MEN1 3639/4885KMT2A 2622/4885
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 KCNH2 1701/4885MEN1 3639/4885KMT2A 2622/4885

“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.