SCHEMBL8258013

SCHEMBL8258013

CC(C)(C)C1=NS(=O)(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
HSD17B10 Q99714 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KCNA3 P22001 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL652970 0.74 PKM (0.53) PKMHSD17B10ALDH1A1KCNA3LMNA
SCHEMBL14374689 0.73 PKM (0.57) PKMHSD17B10NPC1TP53RAB9A
SCHEMBL13240433 0.73 PKM (0.49) PKMHSD17B10NPC1TP53RAB9A
SCHEMBL15869563 0.71 LMNA (0.63) HSD17B10NPC1TP53RAB9ASMN1; SMN2
SCHEMBL30896547 0.70 HSD17B10 (0.68) PKMHSD17B10NPC1TP53RAB9A
SCHEMBL299421 0.69 ALDH1A1 (0.50) PKMHSD17B10NPC1RAB9AALDH1A1
SCHEMBL9292620 0.69 ALDH1A1 (0.50) PKMHSD17B10ALDH1A1KCNA3LMNA
Saccharin SCHEMBL7361433 0.69 ALDH1A1 (0.53) PKMHSD17B10ALDH1A1KCNA3LMNA
SCHEMBL299692 0.69 ALDH1A1 (0.50) PKMHSD17B10ALDH1A1KCNA3LMNA
SCHEMBL29695488 0.69 ALDH1A1 (0.50) PKMHSD17B10ALDH1A1KCNA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380598-B1 ENZYME STABILIZERS HENKEL AG & CO KGAA (DE) 2019-08-21 EP claimed
US-20180340138-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2018-11-29 US claimed
EP-3380598-A1 ENZYME STABILIZERS Henkel AG & Co. KGaA (DE) 2018-10-03 EP claimed
CN-116554119-A Enantioselective reduction (hetero) arylation method of cobalt-catalyzed cyclic N-sulfonyl imine and application 上海毕得医药科技股份有限公司 2023-08-08 CN disclosed
EP-3380598-B1 ENZYME STABILIZERS HENKEL AG & CO KGAA (DE) 2019-08-21 EP disclosed
US-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 US disclosed
US-20180340138-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2018-11-29 US disclosed
EP-3380598-A1 ENZYME STABILIZERS Henkel AG & Co. KGaA (DE) 2018-10-03 EP disclosed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US disclosed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7312211-B2 Pryanone compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2007-12-25 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US disclosed
WO-1991016316-A1 PROCESS FOR PREPARING ISOXAZOLINES BP CHEMICALS LIMITED (GB) 1991-10-31 WO disclosed
EP-0453189-A1 Process for preparing isoxazolines von Oppolzer, Wolfgang Wilhelm R.E.J. (CH) 1991-10-23 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 (7 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-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A PKM 2335/4885HSD17B10 212/4885NPC1 27/4885
US-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ PKM 3345/4885HSD17B10 3442/4885NPC1 263/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PKM 987/4885HSD17B10 465/4885NPC1 177/4885
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PKM 2294/4885HSD17B10 1174/4885NPC1 1269/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PKM 987/4885HSD17B10 465/4885NPC1 177/4885
US-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS PKM 3124/4885HSD17B10 4764/4885NPC1 3960/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PKM 987/4885HSD17B10 465/4885NPC1 177/4885

“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.