SCHEMBL1145926

SCHEMBL1145926

CC(C)(C)OC(=O)NS(=O)(=O)NCCO

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.63
CA2 P00918 7/20 0.63
CA14 Q9ULX7 5/20 0.63
CA1 P00915 8/20 0.55
CA7 P43166 3/20 0.55
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
APLNR P35414 1/20 0.36
EPHX1 P07099 1/20 0.36
CA9 Q16790 5/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23762491 0.90 CA12 (0.59) CA12CA2CA14CA1CA7
SCHEMBL23762313 0.88 TDP1 (0.58) CA12CA2CA14CA1CA7
SCHEMBL23762328 0.87 TDP1 (0.61) CA12CA2CA14CA1CA7
SCHEMBL20646495 0.86 CA12 (0.63) CA12CA2CA14CA1CA7
SCHEMBL18756420 0.84 CA12 (0.61) CA12CA2CA14CA1CA7
SCHEMBL19925453 0.84 CA12 (0.61) CA12CA2CA14CA1CA7
SCHEMBL17233254 0.84 CA12 (0.61) CA12CA2CA14CA1CA7
SCHEMBL19004206 0.84 CA12 (0.61) CA12CA2CA14CA1CA7
SCHEMBL22404228 0.83 CA12 (0.59) CA12CA2CA14CA1CA7
SCHEMBL14010825 0.83 CA12 (0.64) CA12CA2CA14CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600299-B1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-11-30 EP disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
US-11034661-B2 Substituted N′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase IDO inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-15 US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
US-20200102278-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE IDO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-04-02 US disclosed
EP-3600299-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-02-05 EP disclosed
CN-110461326-A Novel substituted N' -hydroxycarbamimidoyl-1, 2, 5-oxadiazole compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME 2019-11-15 CN disclosed
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2019-06-06 US disclosed
WO-2018183097-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-10-04 WO disclosed
US-8293256-B2 Sulfamide derivatives and cosmetic use thereof L'OREAL (FR) 2012-10-23 US disclosed
US-20110044918-A1 Novel sulfamide derivatives and cosmetic use thereof L'OREAL (FR) 2011-02-24 US disclosed
US-7887824-B2 such as N,N'-bis(2-hydroxyethyl)sulfamide; improved elasticity on stratum corneum L'OREAL (FR) 2011-02-15 US disclosed
US-20060134151-A1 Novel sulfamide derivatives and cosmetic use thereof L'OREAL (FR) 2006-06-22 US 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 (6 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 CA12 3897/4885CA2 2428/4885CA14 3828/4885
US-20110044918-A1 Novel sulfamide derivatives and cosmetic use thereof STS, TST, TPST2 CA12 2571/4885CA2 1701/4885CA14 2598/4885
US-20060134151-A1 Novel sulfamide derivatives and cosmetic use thereof STS, TST, TPST2 CA12 2571/4885CA2 1701/4885CA14 2598/4885
US-20200102278-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE IDO INHIBITORS IDO1, IDO2, INMT CA12 1685/4885CA2 1420/4885CA14 1734/4885
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF IDO1, IDO2, INMT CA12 3220/4885CA2 2628/4885CA14 3685/4885
US-11034661-B2 Substituted N′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase IDO inhibitors IDO1, IDO2, INMT CA12 1615/4885CA2 1629/4885CA14 1636/4885

“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.