SCHEMBL255215

SCHEMBL255215

COC(=O)[C@@H](N)C(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 3/20 0.33
SPHK1 Q9NYA1 1/20 0.32
CA12 O43570 2/20 0.32
DPP4 P27487 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.30
DGAT1 O75907 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 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
SCHEMBL16147546 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL16821022 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL3197516 0.98 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL1629944 0.98 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL500459 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL20879474 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL500460 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL737492 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL1705950 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL3015800 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023631-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-02-23 WO disclosed
US-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY (US) 2021-07-08 US disclosed
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2021-06-15 US disclosed
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease INTERVET INC. (US) 2020-03-19 US disclosed
US-10550074-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2020-02-04 US disclosed
US-20190169114-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY 2019-06-06 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
WO-2012154204-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS ACHAOGEN, INC. (US) 2012-11-15 WO disclosed
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2081888-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS Novartis AG (CH) 2009-07-29 EP disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 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 (9 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-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same B3GAT3, GLO1, GLMN SMN1; SMN2 3138/4885ALDH1A1 1477/4885MAPT 4583/4885
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H SMN1; SMN2 4370/4885ALDH1A1 1722/4885MAPT 4232/4885
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same B3GAT3, GLO1, GLMN SMN1; SMN2 3138/4885ALDH1A1 1477/4885MAPT 4583/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885ALDH1A1 687/4885MAPT 4643/4885
US-20190169114-A1 Benzoylglycine Derivatives and Methods of Making and Using Same B3GAT3, GLO1, GLMN SMN1; SMN2 3138/4885ALDH1A1 1477/4885MAPT 4583/4885
US-10550074-B2 Benzoylglycine derivatives and methods of making and using same B3GAT3, GLO1, GLMN SMN1; SMN2 3138/4885ALDH1A1 1477/4885MAPT 4583/4885
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS SMN1; SMN2 1493/4885ALDH1A1 1114/4885MAPT 3961/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX SMN1; SMN2 4714/4885ALDH1A1 1651/4885MAPT 4533/4885
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease PIGS, BTD, PPARD SMN1; SMN2 2973/4885ALDH1A1 1567/4885MAPT 2161/4885

“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.