SCHEMBL3348943

SCHEMBL3348943

CCCN(CCC)S(=O)(=O)CC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.67
CA12 O43570 8/20 0.60
CA2 P00918 5/20 0.60
CA14 Q9ULX7 2/20 0.60
CA9 Q16790 7/20 0.38
CA7 P43166 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
UGT1A7 Q9HAW7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
VCAM1 P19320 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 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
Hydrochloric Acid SCHEMBL3349991 0.97 CA1 (0.63) CA1CA12CA2CA14CA9
SCHEMBL14229365 0.89 CA1 (0.55) CA1CA12CA2CA14CA9
SCHEMBL28163257 0.88 CA1 (0.60) CA1CA12CA2CA14CA9
SCHEMBL27973878 0.85 CA1 (0.57) CA1CA12CA2CA14CA9
SCHEMBL7247026 0.84 CA1 (0.63) CA1CA12CA2CA14CA9
SCHEMBL2885118 0.83 CA1 (0.55) CA1CA12CA2CA14CA9
SCHEMBL6547381 0.83 CA1 (0.55) CA1CA12CA2CA14CA9
SCHEMBL2885120 0.83 CA12 (0.56) CA1CA12CA2CA14CA9
SCHEMBL14200184 0.83 CA1 (0.48) CA1CA12CA2CA14CA9
SCHEMBL14229362 0.81 CA1 (0.46) CA1CA12CA2CA14CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103911615-B Etching agent composite for copper-containing metal 东友精细化工有限公司 2017-08-22 CN claimed
CN-103911615-A Etching agent composition used for copper-contained metal DONGWOO FINE CHEM CO LTD 2014-07-09 CN claimed
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN claimed
CN-1732161-A 1,3-diamino-2-hydroxypropane pro-drug derivatives ELAN PHARM INC (US) 2006-02-08 CN claimed
EP-1565428-A1 SUBSTITUTED UREAS AND CARBAMATES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP claimed
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2004050609-A1 SUBSTITUTED UREAS AND CARBAMATES ELAN PHARMACEUTICAL, INC. (US) 2004-06-17 WO claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
EP-3710449-B1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER BROAD INST INC (US) 2022-07-06 EP disclosed
CN-103911615-B Etching agent composite for copper-containing metal 东友精细化工有限公司 2017-08-22 CN disclosed
CN-103911615-A Etching agent composition used for copper-contained metal DONGWOO FINE CHEM CO LTD 2014-07-09 CN disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN disclosed
CN-1732161-A 1,3-diamino-2-hydroxypropane pro-drug derivatives ELAN PHARM INC (US) 2006-02-08 CN disclosed
EP-1565428-A1 SUBSTITUTED UREAS AND CARBAMATES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP disclosed
WO-2004050609-A1 SUBSTITUTED UREAS AND CARBAMATES ELAN PHARMACEUTICAL, INC. (US) 2004-06-17 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 (1 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-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 CA1 1011/4885CA12 4081/4885CA2 2723/4885

“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.