SCHEMBL495979

SCHEMBL495979

CCC(C)COS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ARNT P27540 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL4211542 1.00 CA1 (0.46) CA1CA2CA9ALDH1A1USP2
SCHEMBL495977 1.00 CA1 (0.46) CA1CA2CA9ALDH1A1USP2
SCHEMBL5990289 0.87 CA1 (0.59) CA1CA2CA9ALDH1A1USP2
SCHEMBL11745911 0.82 CA1 (0.48) CA1CA2CA9MAPTCA12
SCHEMBL4204044 0.81 CA1 (0.43) CA1CA2CA9ALDH1A1USP2
SCHEMBL4204052 0.81 CA1 (0.43) CA1CA2CA9ALDH1A1USP2
SCHEMBL7302948 0.80 CA1 (0.46) CA1CA2CA9ALDH1A1USP2
SCHEMBL15892763 0.78 CA1 (0.50) CA1CA2CA9ALDH1A1USP2
SCHEMBL2591059 0.78 CA1 (0.77) CA1CA2CA9CA12CA7
SCHEMBL15607878 0.78 CA1 (0.50) CA1CA2CA9ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202968-A1 PROCESS FOR PREPARING 2-METHYL-N-(2' -METHYLBUTYL)BUTANAMIDE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-29 US disclosed
US-11629119-B2 Process for preparing 2-methyl-N-(2′-methylbutyl)butanamide SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-18 US disclosed
US-20220411363-A1 PROCESS FOR PREPARING 2-METHYL-N-(2' -METHYLBUTYL)BUTANAMIDE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-12-29 US disclosed
EP-4101840-A1 PROCESS FOR PREPARING 2-METHYL-N- (2' -METHYLBUTYL) BUTANAMIDE Shin-Etsu Chemical Co., Ltd. (JP) 2022-12-14 EP disclosed
CN-110325531-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-10-11 CN disclosed
CN-106715438-B Triazolopyrazine ketone as PDE1 inhibitor H.隆德贝克有限公司 2019-04-12 CN disclosed
CN-106715438-A Triazolopyrazinones as PDE1 inhibitors H.隆德贝克有限公司 2017-05-24 CN disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0816310-A2 Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed
US-5488162-A Process for preparing o-alkylhydroxylamine salts without the isolation of intermediates EASTMAN CHEMICAL COMPANY 1996-01-30 US disclosed
WO-1995018788-A1 PROCESS FOR PREPARING O-ALKYLHYDROXYLAMINE SALTS WITHOUT THE ISOLATION OF INTERMEDIATES EASTMAN CHEMICAL COMPANY (US) 1995-07-13 WO disclosed
US-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 US disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed
US-4776973-A LIQUID CRYSTAL ELECTROOPTICS DISPLAY DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-10-11 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 (4 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-20220411363-A1 PROCESS FOR PREPARING 2-METHYL-N-(2' -METHYLBUTYL)BUTANAMIDE ALKBH5, ALKBH2, ADRB2 CA1 3730/4885CA2 2532/4885CA9 2179/4885
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CA1 3179/4885CA2 688/4885CA9 3026/4885
US-11629119-B2 Process for preparing 2-methyl-N-(2′-methylbutyl)butanamide ALKBH5, ALKBH2, ADRB2 CA1 3776/4885CA2 2584/4885CA9 2174/4885
US-20230202968-A1 PROCESS FOR PREPARING 2-METHYL-N-(2' -METHYLBUTYL)BUTANAMIDE ALKBH5, ALKBH2, ADRB2 CA1 3730/4885CA2 2532/4885CA9 2179/4885

“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.