SCHEMBL2244396

SCHEMBL2244396

Cc1ccc(-c2nc3cc(NS(=O)(=O)C(C)C)ccc3o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
KDM4E B2RXH2 5/20 0.72
MAPT P10636 3/20 0.72
XBP1 P17861 1/20 0.72
PTPN5 P54829 15/20 0.71
PTPN2 P17706 14/20 0.71
PTPN1 P18031 14/20 0.71
HPGD P15428 5/20 0.71
GAA P10253 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ALOX12 P18054 1/20 0.71
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HSD17B10 Q99714 3/20 0.64
TP53 P04637 2/20 0.64
THRB P10828 1/20 0.64
TSHR P16473 1/20 0.64

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
SCHEMBL2244839 0.89 PTPN5 (0.69) ALDH1A1KDM4EMAPTXBP1PTPN5
SCHEMBL2246107 0.89 PTPN5 (0.70) ALDH1A1KDM4EMAPTPTPN5PTPN2
SCHEMBL31701753 0.83 PTPN2 (1.00) ALDH1A1KDM4EMAPTXBP1PTPN5
SCHEMBL2245164 0.81 PTPN5 (0.89) ALDH1A1KDM4EMAPTXBP1PTPN5
SCHEMBL31701723 0.79 PTPN1 (0.71) ALDH1A1KDM4EMAPTXBP1PTPN5
SCHEMBL2244567 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTXBP1HPGD
SCHEMBL2242651 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTXBP1PTPN5
SCHEMBL3288386 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTXBP1PTPN5
SCHEMBL31701139 0.74 PTPN5 (1.00) ALDH1A1KDM4EMAPTXBP1PTPN5
SCHEMBL16217101 0.74 PTGS2 (0.78) ALDH1A1KDM4EMAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986633-B1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORP PLC (GB) 2014-07-30 EP claimed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US claimed
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
EP-1986633-B1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORP PLC (GB) 2014-07-30 EP disclosed
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-16 US disclosed
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-09 US disclosed
US-8518980-B2 Treatment of Duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-27 US disclosed
US-8501713-B2 Drug combinations for the treatment of duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-06 US disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 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-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 ALDH1A1 1203/4885KDM4E 3311/4885MAPT 3113/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 ALDH1A1 1203/4885KDM4E 3311/4885MAPT 3113/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885KDM4E 2080/4885MAPT 4858/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885KDM4E 2080/4885MAPT 4858/4885

“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.