SCHEMBL10000225

SCHEMBL10000225

CNC(CCC(C)=O)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FOLH1 Q04609 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 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
SCHEMBL17343482 0.84 L3MBTL1 (0.50) ALDH1A1MGAMGAASIMGAM2
SCHEMBL12207450 0.83 ANPEP (0.47) FOLH1TSHR
SCHEMBL14497500 0.83 ANPEP (0.47) FOLH1TSHR
SCHEMBL24445692 0.83 TSHR (0.48) ALDH1A1MGAMGAASIMGAM2
SCHEMBL15180397 0.83 TSHR (0.48) ALDH1A1MGAMGAASIMGAM2
SCHEMBL23155981 0.82 FOLH1 (0.45) CA1CA2SMN1; SMN2L3MBTL1FOLH1
SCHEMBL13033618 0.82 LMNA (0.39) ALDH1A1CA1CA2SMN1; SMN2L3MBTL1
SCHEMBL13475050 0.80 ALDH1A1 (0.41) ALDH1A1FOLH1LMNASLC15A2
SCHEMBL9915835 0.80 ALDH1A1 (0.41) ALDH1A1FOLH1LMNASLC15A2
SCHEMBL18289209 0.80 FOLH1 (0.35) ALDH1A1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174932-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2015-11-03 US disclosed
US-9126058-B2 Mouthwash composition FAR EASTERN NEW CENTURY CORPORATION (TW) 2015-09-08 US disclosed
US-9000208-B2 Glutamate derivatives or salts thereof AJINOMOTO CO., INC. (JP) 2015-04-07 US disclosed
US-8877739-B2 Prophylactic agent or therapeutic agent for diabetes or obesity AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140303122-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2014-10-09 US disclosed
US-20140242002-A1 MOUTHWASH COMPOSITION FAR EASTERN NEW CENTURY CORPORATION (TW) 2014-08-28 US disclosed
US-8796485-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2014-08-05 US disclosed
US-8778325-B2 Water-soluble and biodegradable antimicrobial agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2014-07-15 US disclosed
US-8728447-B2 Teeth-whitening gel FAR EASTERN NEW CENTURY CORPORATION (TW) 2014-05-20 US disclosed
US-8530405-B2 Method of preparing water-soluble and biodegradable antimicrobial agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2013-09-10 US disclosed
US-20130216487-A1 Teeth-Whitening Gel FAR EASTERN NEW CENTURY CORPORATION (TW) 2013-08-22 US disclosed
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY AJINOMOTO CO., INC. (JP) 2013-04-25 US disclosed
US-20130017603-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF AJINOMOTO CO., INC. (JP) 2013-01-17 US disclosed
US-20120083439-A1 Method of Preparing Water-Soluble and Biodegradable Antimicrobial Agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2012-04-05 US disclosed
US-20120082638-A1 Water-Soluble and Biodegradable Antimicrobial Agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2012-04-05 US disclosed
US-20110251418-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2011-10-13 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 (8 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-20130216487-A1 Teeth-Whitening Gel MPO, TXLNA, TXN ALDH1A1 2895/4885MGAM 1531/4885GAA 1717/4885
US-20130017603-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF CASR, GIPR, GRPR ALDH1A1 2603/4885MGAM 2282/4885GAA 843/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 ALDH1A1 2705/4885MGAM 2875/4885GAA 1683/4885
US-20120082638-A1 Water-Soluble and Biodegradable Antimicrobial Agent LBR, H1-0, B2M ALDH1A1 3165/4885MGAM 17/4885GAA 111/4885
US-20140242002-A1 MOUTHWASH COMPOSITION POLH, POLG, POLI ALDH1A1 4096/4885MGAM 60/4885GAA 11/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR ALDH1A1 2335/4885MGAM 2111/4885GAA 783/4885
US-20120083439-A1 Method of Preparing Water-Soluble and Biodegradable Antimicrobial Agent HGF, NRDC, HDGF ALDH1A1 1832/4885MGAM 630/4885GAA 933/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 ALDH1A1 2705/4885MGAM 2875/4885GAA 1683/4885

“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.