SCHEMBL4401874

SCHEMBL4401874

CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
NPC1 O15118 11/20 1.00
KDM4E B2RXH2 10/20 1.00
SMN1; SMN2 Q16637 10/20 1.00
ALDH1A1 P00352 7/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
HPGD P15428 3/20 1.00
TP53 P04637 6/20 0.80
HSD17B10 Q99714 5/20 0.80
TSHR P16473 4/20 0.80
LMNA P02545 3/20 0.80
MAPK1 P28482 3/20 0.80
MAPT P10636 3/20 0.80
HTT P42858 2/20 0.80
USP2 O75604 1/20 0.80
PKM P14618 1/20 0.78
NFKB1 P19838 4/20 0.67
NFKB2 Q00653 4/20 0.67
RELA Q04206 4/20 0.67

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
SCHEMBL6229059 0.88 RAB9A (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4395968 0.86 RAB9A (0.80) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL21681998 0.80 TP53 (0.70) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2248159 0.78 RAB9A (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3405003 0.78 RAB9A (0.74) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4914385 0.78 NPC1 (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4918421 0.76 CASP3 (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1789574 0.75 GHSR (0.80) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19270401 0.74 RAB9A (0.71) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3877563 0.74 PIK3CG (0.69) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 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-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 (3 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-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885KDM4E 3311/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885KDM4E 2080/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885KDM4E 2080/4885

“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.