SCHEMBL3096935

SCHEMBL3096935

CCC[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
IDO1 P14902 1/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SLC1A1 P43005 4/20 0.47
SLC1A3 P43003 3/20 0.47
LTA4H P09960 2/20 0.46
SLC15A1 P46059 2/20 0.46
LAP3 P28838 1/20 0.46
CTSK P43235 1/20 0.45
SLC1A2 P43004 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL12869905 1.00 ALDH1A1 (0.53) ALDH1A1CA1CA2IDO1MAPK1
Hydrochloric Acid SCHEMBL9437522 0.98 ALDH1A1 (0.51) ALDH1A1CA1CA2IDO1MAPK1
Hydrochloric Acid SCHEMBL27876344 0.98 ALDH1A1 (0.51) ALDH1A1CA1CA2IDO1MAPK1
Hydrochloric Acid SCHEMBL9437525 0.98 ALDH1A1 (0.51) ALDH1A1CA1CA2IDO1MAPK1
SCHEMBL8003648 0.90 ALDH1A1 (0.52) ALDH1A1IDO1MAPK1TDP1L3MBTL1
SCHEMBL7266217 0.90 ALDH1A1 (0.52) ALDH1A1IDO1MAPK1TDP1L3MBTL1
SCHEMBL7266221 0.90 ALDH1A1 (0.52) ALDH1A1IDO1MAPK1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL7279052 0.89 ALDH1A1 (0.51) ALDH1A1IDO1MAPK1TDP1L3MBTL1
SCHEMBL10026046 0.89 ALDH1A1 (0.51) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL7279046 0.89 ALDH1A1 (0.51) ALDH1A1IDO1MAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331750-A1 Preparation Method for Glufosinate LIER CHEMICAL CO., LTD. (CN) 2023-10-19 US disclosed
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma AG (DE) 2018-07-05 US disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US disclosed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US disclosed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US disclosed
US-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 US disclosed
US-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 US disclosed
EP-2109612-B1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2010-11-10 EP disclosed
US-7799781-B2 5,6,7,8-tetrahydropteridine derivatives as HSP90 inhibitors ASTRAZENECA AB (SE) 2010-09-21 US disclosed
EP-2109612-A2 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS AstraZeneca AB (SE) 2009-10-21 EP disclosed
EP-1888618-A4 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LTD (NZ) 2009-07-15 EP disclosed
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-14 US disclosed
WO-2008093075-A2 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 US disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 US disclosed
EP-1888618-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE Neuren Pharmaceuticals Limited (NZ) 2008-02-20 EP disclosed
WO-2006127702-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LIMITED (NZ) 2006-11-30 WO disclosed
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 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 (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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A ALDH1A1 4268/4885CA1 4709/4885CA2 3971/4885
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS HSP90AA1, HSP90AB1, HSP90AB2P ALDH1A1 2568/4885CA1 2719/4885CA2 1430/4885
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES KIF23, KIF5B, KIF2C ALDH1A1 1644/4885CA1 4319/4885CA2 4290/4885
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A ALDH1A1 574/4885CA1 292/4885CA2 538/4885
US-20230331750-A1 Preparation Method for Glufosinate GLUL, ASNS, GDA ALDH1A1 3660/4885CA1 3721/4885CA2 4211/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 ALDH1A1 4142/4885CA1 4215/4885CA2 3235/4885

“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.