SCHEMBL3823055

SCHEMBL3823055

CCC(C)OC(=O)C(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ SLC1A3 P43003 3/20 0.36
▸ SLC1A2 P43004 3/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ SLC7A5 Q01650 2/20 0.35
▸ FAAH O00519 1/20 0.32
▸ ENPEP Q07075 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GABRP O00591 2/20 0.31
▸ GABRD O14764 2/20 0.31
▸ GABRA1 P14867 2/20 0.31
▸ GABRB1 P18505 2/20 0.31
▸ GABRG2 P18507 2/20 0.31

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 SCHEMBL1439109 0.98 MAPT (0.41) MAPTSLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL8861409 0.82 SLC7A5 (0.43) MAPTSLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL8861407 0.82 SLC7A5 (0.43) MAPTSLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL11874247 0.82 MAPT (0.37) MAPTFAAHCHRM2CHRM4CHRM5
SCHEMBL28936255 0.81 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1SLC7A5CHRM1
SCHEMBL14887353 0.80 MAPT (0.41) MAPTSLC1A3SLC1A2SLC1A1FAAH
SCHEMBL15574890 0.80 MAPT (0.41) MAPTSLC1A3SLC1A2SLC1A1FAAH
SCHEMBL14989440 0.80 MAPT (0.41) MAPTSLC1A3SLC1A2SLC1A1FAAH
SCHEMBL14989441 0.80 MAPT (0.41) MAPTSLC1A3SLC1A2SLC1A1FAAH
SCHEMBL14887474 0.80 MAPT (0.41) MAPTSLC1A3SLC1A2SLC1A1FAAH

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-113429310-A Continuous preparation method of 2-amino malonamide 大连理工大学 2021-09-24 — — CN disclosed
CN-106632029-A Process for synthesizing rebamipide 大桐制药(中国)有限责任公司 2017-05-10 — — CN disclosed
CN-105968786-A Athletic ground runway material 丁悦 2016-09-28 — — CN disclosed
CN-105968968-A Flame-retardant and antibacterial coating for safety protective garment 王乔 2016-09-28 — — CN disclosed
CN-105802574-A Adhesive for communication optical cable mounting and preparation method of adhesive 王义金 2016-07-27 — — CN disclosed
CN-105295353-A Binder for casting and preparation method thereof SUZHOU JIEDERUI PREC MACHINERY CO LTD 2016-02-03 — — CN disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
EP-2099803-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-16 — — EP disclosed
EP-2094707-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-02 — — EP disclosed
CN-101410120-A Anti-inflammatory phosphonate compounds GILEAD SCIENCES INC (US) 2009-04-15 — — CN disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 — — US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 — — US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 — — EP disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 — — EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 — — WO disclosed
US-5693772-A PROTECTING ACID AND HYDROXY GROUPS OF BENANOMICIN A, REDUCTION OF AMIDE TO IMIDOESTER WITH MEERWEIN REAGENT, DEPROTECTING, REFLUXING IN ACETONE/WATER MIXTURE TO CLEAVE IMIDOESTER AND FORM CARBOXY GROUP ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-12-02 — — US disclosed
US-5686449-A 1,5-benzodiazepines useful as gastrinor CCK-antagonists GLAXO WELLCOME S.P.A. (IT) 1997-11-11 — — US disclosed
EP-0695297-A1 1,5-BENZODIAZEPINES USEFUL AS GASTRIN OR CCK-ANTAGONISTS GLAXO S.p.A. (IT) 1996-02-07 — — EP disclosed
EP-0684253-A1 DESALANINEBENANOMICIN A DERIVATIVE AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1995-11-29 — — EP disclosed
WO-1994025445-A1 1,5-BENZODIAZEPINES USEFUL AS GASTRIN OR CCK-ANTAGONISTS GLAXO S.P.A. (IT) 1994-11-10 — — 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 (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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MAPT 4426/4885SLC1A3 3829/4885SLC1A2 3764/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES MAPT 2574/4885SLC1A3 3575/4885SLC1A2 4126/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES MAPT 2574/4885SLC1A3 3575/4885SLC1A2 4126/4885

“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.

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