SCHEMBL1997086

SCHEMBL1997086

N[C@@H](CCC(=O)O)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SLC1A5 Q15758 1/20 0.44
CYP1A2 P05177 2/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GSR P00390 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIK2 Q13002 1/20 0.44

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
SCHEMBL5084405 0.89 ALDH1A1 (0.44) ALDH1A1SLC1A5TDP1MAPK1HIF1A
SCHEMBL5084403 0.89 ALDH1A1 (0.44) ALDH1A1SLC1A5TDP1MAPK1HIF1A
SCHEMBL5078448 0.88 CYP1A2 (0.46) ALDH1A1SLC1A5CYP1A2GRM8GRM6
SCHEMBL21291549 0.88 CYP1A2 (0.46) ALDH1A1SLC1A5CYP1A2GRM8GRM6
SCHEMBL28374594 0.88 ALDH1A1 (0.42) ALDH1A1SLC1A5TDP1MAPK1HIF1A
Hydrochloric Acid SCHEMBL31375791 0.88 ALDH1A1 (0.42) ALDH1A1SLC1A5TDP1MAPK1HIF1A
SCHEMBL28170754 0.86 ALDH1A1 (0.41) ALDH1A1SLC1A5TDP1MAPK1HIF1A
Hydrochloric Acid SCHEMBL6751555 0.84 SLC1A5 (0.51) ALDH1A1SLC1A5TDP1MAPK1HIF1A
SCHEMBL21081465 0.83 ALDH1A1 (0.47) ALDH1A1SLC1A5TDP1MAPK1HIF1A
SCHEMBL10390365 0.83 ALDH1A1 (0.41) ALDH1A1SLC1A5TDP1MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2020-05-19 US claimed
CN-107442038-B Ultraviolet response amino acid surfactant and preparation method thereof 广州天赐高新材料股份有限公司 2019-08-09 CN claimed
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2019-07-11 US claimed
CN-109553619-A A kind of preparation method of methotrexate (MTX) 北京斯利安药业有限公司 2019-04-02 CN claimed
US-10208051-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2019-02-19 US claimed
US-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2018-06-14 US claimed
US-9896455-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-02-20 US claimed
CN-107442038-A Ultraviolet response amino acid surfactant and preparation method thereof 广州天赐高新材料股份有限公司 2017-12-08 CN claimed
US-20170223990-A1 FOOD PRESERVATION WITH FOLATES UNIVERSITY OF CALCUTTA (IN) 2017-08-10 US claimed
US-20160355520-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST 2016-12-08 US claimed
US-20150141445-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST 2015-05-21 US claimed
EP-2807927-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof Duquesne University of the Holy Ghost (US) 2014-12-03 EP claimed
EP-2200437-B1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF UNIV HOLY GHOST DUQUESNE (US) 2014-07-30 EP claimed
US-20130102623-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST 2013-04-25 US claimed
US-8314114-B2 Tricyclic compounds having cytostatic and/or cytoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2012-11-20 US claimed
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-08-25 US claimed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US claimed
EP-2200437-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF Duquesne University of the Holy Ghost (US) 2010-06-30 EP claimed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 US claimed
WO-2009029473-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2009-03-05 WO claimed

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-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS ALDH1A1 763/4885SLC1A5 1615/4885CYP1A2 2550/4885
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS ALDH1A1 763/4885SLC1A5 1615/4885CYP1A2 2550/4885
US-20160355520-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DHFR, TK1, TYMS ALDH1A1 763/4885SLC1A5 1615/4885CYP1A2 2550/4885
US-10208051-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS ALDH1A1 763/4885SLC1A5 1615/4885CYP1A2 2550/4885
US-20130102623-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DHFR, TK1, TYMS ALDH1A1 763/4885SLC1A5 1615/4885CYP1A2 2550/4885
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS ALDH1A1 763/4885SLC1A5 1615/4885CYP1A2 2550/4885
US-20150141445-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DHFR, TK1, TYMS ALDH1A1 763/4885SLC1A5 1615/4885CYP1A2 2550/4885
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DHFR, TK1, TK2 ALDH1A1 621/4885SLC1A5 2035/4885CYP1A2 1944/4885
US-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS ALDH1A1 763/4885SLC1A5 1615/4885CYP1A2 2550/4885

“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.