Sugi Predict

Sugi Predict / Compounds / SCHEMBL3631353

SCHEMBL3631353

SCHEMBL3631353

O=C(CCl)N[C@@H](CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.52
▸ MME P08473 6/20 0.50
▸ CA2 P00918 4/20 0.40
▸ CA1 P00915 2/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ ASAH1 Q13510 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ LMNA P02545 2/20 0.36

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
SCHEMBL11303240 1.00 TGFBR1 (0.52) TGFBR1MMECA2CA1FNTA
SCHEMBL4812263 0.81 TGFBR1 (0.56) TGFBR1MMECA2CA1FNTA
SCHEMBL1995530 0.81 TGFBR1 (0.56) TGFBR1MMECA2CA1FNTA
SCHEMBL1995531 0.81 TGFBR1 (0.56) TGFBR1MMECA2CA1FNTA
SCHEMBL28740906 0.80 SMN1; SMN2 (0.57) CA2CA1FNTAFNTBCA4
SCHEMBL9021123 0.80 CA2 (0.58) MMECA2CA1FNTAFNTB
SCHEMBL28252677 0.80 SMN1; SMN2 (0.57) CA2CA1FNTAFNTBCA4
SCHEMBL9020944 0.80 CA2 (0.58) MMECA2CA1FNTAFNTB
SCHEMBL6315187 0.79 TGFBR1 (0.54) TGFBR1MMECA2CA1FNTA
SCHEMBL4812250 0.79 TGFBR1 (0.54) TGFBR1MMECA2CA1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674254-A Quinolone carboxylic acid compounds and intermediates, preparation method and application thereof 广东省中医院 2017-05-17 — — CN claimed
JP-56088798-A — — None — — JP disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 — — US disclosed
CN-111285793-B Fluorine-substituted bimolecular carbazole derivative, and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2022-04-22 — — CN disclosed
EP-3919056-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2021-12-08 — — EP disclosed
EP-2970308-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-14 — — EP disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 — — US disclosed
CN-111285793-A Fluorine-substituted bimolecular carbazole derivative, and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2020-06-16 — — CN disclosed
CN-108395413-B A kind of preparation method of morpholine -3- carboxylic acid 上海馨远医药科技有限公司 2019-05-28 — — CN disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 — — US disclosed
CN-106674254-A Quinolone carboxylic acid compounds and intermediates, preparation method and application thereof 广东省中医院 2017-05-17 — — CN disclosed
US-20160046613-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-02-18 — — US disclosed
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2010-12-02 — — US disclosed
EP-2146980-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma S.A. (BE) 2010-01-27 — — EP disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 — — WO disclosed
CN-1901916-A Quinazolinone compounds with reduced in vivo accumulation CHIRON CORP (US) 2007-01-24 — — CN disclosed
CN-1829517-A Guanidino-substituted quinazolines as MC 4-R agonists CHIRON CORP (US) 2006-09-06 — — CN disclosed
JP-S5688798-A PREPARATION OF L-SERINE BY FERMENTATION METHOD AJINOMOTO CO INC 1981-07-18 — — JP disclosed
JP-S05688798-A — — 0001-01-01 — — JP 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-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TGFBR1 4858/4885MME 2359/4885CA2 907/4885
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TGFBR1 4858/4885MME 2359/4885CA2 907/4885
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group HMGCR, TECR, CYP4A11 TGFBR1 1591/4885MME 872/4885CA2 2317/4885
US-20160046613-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TGFBR1 4858/4885MME 2359/4885CA2 907/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB TGFBR1 4858/4885MME 2359/4885CA2 907/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB TGFBR1 4858/4885MME 2359/4885CA2 907/4885

“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.