SCHEMBL674105

SCHEMBL674105

CC(C)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
GBA1 P04062 2/20 0.61
PKM P14618 2/20 0.59
KMT2A Q03164 1/20 0.59
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KEAP1 Q14145 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GRIA4 P48058 1/20 0.54
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
Hydrochloric Acid SCHEMBL14638221 0.98 ALDH1A1 (0.64) ALDH1A1GBA1PKMKMT2ATP53
SCHEMBL20021993 0.89 ALDH1A1 (0.63) ALDH1A1GBA1PKMKMT2AGRIA4
SCHEMBL6323680 0.85 GBA1 (0.57) ALDH1A1GBA1PKMKMT2ATP53
SCHEMBL174302 0.85 GBA1 (0.57) ALDH1A1GBA1PKMKMT2ATP53
SCHEMBL13508355 0.85 GBA1 (0.57) ALDH1A1GBA1PKMKMT2ATP53
SCHEMBL11649104 0.85 GBA1 (0.72) ALDH1A1GBA1PKMKMT2ATP53
SCHEMBL27478957 0.83 GBA1 (0.56) ALDH1A1GBA1PKMKMT2ATP53
SCHEMBL7862567 0.82 GBA1 (0.74) ALDH1A1GBA1KMT2ASMN1; SMN2CA1
SCHEMBL8279557 0.82 GBA1 (0.63) ALDH1A1GBA1PKMKMT2ATP53
SCHEMBL18680063 0.82 GBA1 (0.54) ALDH1A1GBA1PKMKMT2ATP53

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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245018-B1 PROCESS FOR PREPARING BOSENTAN GENERICS UK LTD (GB) 2017-08-30 EP claimed
CN-104379559-B Compound (I) 葛兰素集团有限公司 2016-11-09 CN claimed
EP-2897970-B1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-07-13 EP claimed
US-20150210729-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2015-07-30 US claimed
EP-2897970-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2015-07-29 EP claimed
EP-2841416-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2015-03-04 EP claimed
EP-2773637-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2014-09-10 EP claimed
EP-2760443-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID - RELATED ORPHAN RECEPTOR Glaxo Group Limited (GB) 2014-08-06 EP claimed
US-8785461-B2 Process for preparing bosentan GENERICS [UK] LIMITED (GB) 2014-07-22 US claimed
WO-2014044645-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-03-27 WO claimed
WO-2012024472-A1 CHLORINE-FREE INK AND COATING COMPOSITIONS & A METHOD FOR PRINTING ON UNTREATED POLYOLEFIN FILMS WITH IMPROVED ADHESION SUN CHEMICAL CORPORATION (US) 2012-02-23 WO claimed
EP-2245018-A1 PROCESS FOR PREPARING BOSENTAN Generics [UK] Limited (GB) 2010-11-03 EP claimed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US claimed
WO-2009098517-A1 PROCESS FOR PREPARING BOSENTAN GENERICS [UK] LIMITED (GB) 2009-08-13 WO claimed
CN-101506175-A 2-anilino-4-(heterocyclic)amino-pyrimidines as inhibitors of protein kinase C-alpha BOEHRINGER INGELHEIM INT (DE) 2009-08-12 CN claimed
EP-1976498-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-08 EP claimed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 WO claimed
EP-1165866-B1 ABRASIVE FILAMENTS OF PLASTICIZED POLYAMIDES DU PONT (US) 2004-01-28 EP claimed
US-5437690-A Using an n-alkyl aromatic sulfonamide as dye promoter in dyeing aromatic polyamides, polybenzimidazoles, polyimides SPRINGS INDUSTRIES, INC. (US) 1995-08-01 US claimed

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-20150210729-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PCSK9, CYP51A1, ABCB11 ALDH1A1 2132/4885GBA1 249/4885PKM 849/4885
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH ALDH1A1 4216/4885GBA1 4850/4885PKM 176/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ALDH1A1 4216/4885GBA1 4850/4885PKM 176/4885

“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.