SCHEMBL959995

SCHEMBL959995

NC(=O)CCC(=O)NOC(=O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL6179935 0.80 CA12 (0.51) ALDH1A1
SCHEMBL6406957 0.79 CA12 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL15317923 0.79 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27543987 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL8936163 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL10679748 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL3803222 0.77 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Guanidine SCHEMBL27358697 0.77 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7236939 0.77 MAPT (0.46)
SCHEMBL9514032 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908849-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-06 US disclosed
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA 2017-06-15 US disclosed
US-9562022-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
US-9421177-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-08-23 US disclosed
US-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-23 US disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 US disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 US disclosed
WO-2009146112-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-03 WO disclosed
EP-1395551-B1 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES ELAN PHARM INC (US) 2008-05-21 EP disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
EP-1015454-A1 METHOD OF INHIBITING SERINE PROTEASE ENZYMES GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
US-6057457-A ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS GLAXO WELLCOME INC. (US) 2000-05-02 US disclosed
US-5994344-A BRONCHITIS THERAPY GLAXO WELLCOME INC. (US) 1999-11-30 US disclosed
US-5952462-A Transition state analogs IGEN INTERNATIONAL INC. (US) 1999-09-14 US disclosed
WO-1999012932-A1 METHOD OF INHIBITING SERINE PROTEASE ENZYMES GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
WO-1999012931-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
EP-0891362-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-01-20 EP disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
WO-1997036903-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1997-10-09 WO disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP 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 (5 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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 ALDH1A1 4650/4885MAPK1 607/4885L3MBTL1 3046/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA ALDH1A1 2958/4885MAPK1 3876/4885L3MBTL1 1042/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 ALDH1A1 597/4885MAPK1 3664/4885L3MBTL1 4541/4885
US-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 ALDH1A1 4570/4885MAPK1 361/4885L3MBTL1 2676/4885
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 ALDH1A1 4570/4885MAPK1 361/4885L3MBTL1 2676/4885

“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.