Sugi Predict

Sugi Predict / Compounds / SCHEMBL941121

SCHEMBL941121

SCHEMBL941121

CC(C)(C)OC(=O)NCC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ KDM4A O75164 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46

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
SCHEMBL19331732 0.89 MAPT (0.51) JAK3BTKALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL24740876 0.88 AKR1C3 (0.47) JAK3BTKSIGMAR1KMT2AMAPT
SCHEMBL882755 0.87 HDAC1 (0.44) ALDH1A1SMN1; SMN2SIGMAR1MAPTTDP1
SCHEMBL17677117 0.86 JAK3 (0.55) JAK3BTKSMN1; SMN2SIGMAR1HPGD
SCHEMBL2009324 0.85 NR1H4 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL5105663 0.84 CYP17A1 (0.48) ALDH1A1HPGDCYP3A4KDM4EBCHE
SCHEMBL14830379 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL204168 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDKMT2AMAPT
SCHEMBL5158225 0.84 MAOA (0.46) SIGMAR1IDO1KDM4ACA12CA1
SCHEMBL17570719 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2SIGMAR1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 — — CN disclosed
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 — — US disclosed
EP-3218381-B1 SPIRO-THIAZOLONES HOFFMANN LA ROCHE (CH) 2019-01-23 — — EP disclosed
US-10092551-B2 Spiro-thiazolones HOFFMANN-LAROCHE INC. (US) 2018-10-09 — — US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 — — US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 — — US disclosed
EP-3218381-A1 SPIRO-THIAZOLONES F. Hoffmann-La Roche AG (CH) 2017-09-20 — — EP disclosed
US-6593325-B1 Method for the treatment of anxiety which comprises administering to a patient in need of such treatment an effective amount of the compound of claim 1 or a pharmaceutically acceptable salt thereof. MERCK SHARP & DOHME LTD. (GB) 2003-07-15 — — US disclosed
US-6410749-B1 REACTING A CARBONYL COMPOUND WITH ORGANOMETALLIC COMPOUND NIPPON SODA CO., LTD. (JP) 2002-06-25 — — US disclosed
EP-1214320-A1 PYRIDO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2002-06-19 — — EP disclosed
EP-1146037-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO., LTD. (JP) 2001-10-17 — — EP disclosed
WO-2001018001-A1 PYRIDO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-03-15 — — WO disclosed
EP-0738265-A1 TAXANE DERIVATIVES PHARMACIA S.p.A. (IT) 1996-10-23 — — EP disclosed
WO-1996014308-A1 TAXANE DERIVATIVES PHARMACIA S.P.A. (IT) 1996-05-17 — — WO disclosed
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 — — US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 — — US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 — — 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 (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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF JAK3 701/4885BTK 105/4885ALDH1A1 4433/4885
US-10092551-B2 Spiro-thiazolones AVPR1A, AVPR2, AVPR1B JAK3 876/4885BTK 3115/4885ALDH1A1 1198/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF JAK3 701/4885BTK 105/4885ALDH1A1 4433/4885

“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.