SCHEMBL10076082

SCHEMBL10076082

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
FAAH O00519 3/20 0.49
MME P08473 2/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
LTA4H P09960 2/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL4189346 1.00 ALDH1A1 (0.50) ALDH1A1MAPTFAAHMMEACE
SCHEMBL3159946 1.00 ALDH1A1 (0.50) ALDH1A1MAPTFAAHMMEACE
SCHEMBL11429905 0.91 MME (0.52) ALDH1A1MAPTFAAHMMEACE
SCHEMBL16199258 0.91 MME (0.52) ALDH1A1MAPTFAAHMMEACE
SCHEMBL6624097 0.89 CYP2C9 (0.45) ALDH1A1MAPTFAAHMMEACE
SCHEMBL6624100 0.89 CYP2C9 (0.45) ALDH1A1MAPTFAAHMMEACE
SCHEMBL23894144 0.85 PSMB5 (0.53) ALDH1A1MAPTFAAHMMEACE
SCHEMBL28310183 0.82 MME (0.47) ALDH1A1MAPTFAAHMMEACE
SCHEMBL28310182 0.82 MME (0.47) ALDH1A1MAPTFAAHMMEACE
SCHEMBL2269347 0.81 FAAH (0.59) ALDH1A1MAPTFAAHMMEACE

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2019174279-A1 1,2-BENZISOSELENAZOL-3(2H)-ONE AND 1,2-BENZISOTHIAZOL-3(2H)-ONE DERIVATIVES AS BETA-LACTAM ANTIBIOTIC ADJUVANTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2019-09-19 WO disclosed
EP-2941431-B1 SUBSTITUTED MORPHINANS AND THE USE THEREOF PURDUE PHARMA LP (US) 2017-10-25 EP disclosed
US-9388162-B2 Substituted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2016-07-12 US disclosed
US-20150175571-A1 Substituted Morphinans and the Use Thereof PURDUE PHARMA L.P. 2015-06-25 US disclosed
CN-103243141-B Method for preparing gamma-glutamyl small peptide compound by one-pot method NANJING UNIVERSITY OF TECHNOLOGY 2015-04-01 CN disclosed
US-8946255-B2 Substituted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2015-02-03 US disclosed
US-20140187573-A1 Substituted Morphinans and the Use Thereof PURDUE PHARMA L.P. (US) 2014-07-03 US disclosed
US-20130060013-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20120295823-A1 OIL RELEASE WITH N-LAUROYL AMINO ACID-BASED COMPOUNDS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US disclosed
US-20120292022-A1 COMPOSITION FOR IMPROVING OIL RECOVERY INCLUDING N-LAUROYL AMINO ACID-BASED COMPOUNDS AND MICROBES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 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 (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-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 ALDH1A1 4455/4885MAPT 3626/4885FAAH 4783/4885
US-20150175571-A1 Substituted Morphinans and the Use Thereof OPRL1, OPRM1, OPRK1 ALDH1A1 763/4885MAPT 1659/4885FAAH 1905/4885
US-20130060013-A1 Compounds useful for treating neurodegenerative disorders SNCA, HTT, CLN6 ALDH1A1 588/4885MAPT 4/4885FAAH 1175/4885
US-20140187573-A1 Substituted Morphinans and the Use Thereof OPRL1, OPRM1, OPRK1 ALDH1A1 763/4885MAPT 1659/4885FAAH 1905/4885

“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.