SCHEMBL375940

SCHEMBL375940

O=C(OC1CCCC1)C1CNCCN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.50
KLK5 Q9Y337 1/20 0.50
PREP P48147 4/20 0.48
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR2C P28335 1/20 0.46
CTRB1 P17538 1/20 0.45
FKBP1A P62942 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4674934 0.87 HTR2C (0.52) KLK7KLK5PREPNPSR1HTR2C
SCHEMBL3017853 0.84 HTR2C (0.52) PREPCTSKNPSR1TSHRL3MBTL1
SCHEMBL6501753 0.84 HTR2C (0.52) PREPCTSKNPSR1TSHRL3MBTL1
SCHEMBL6487292 0.84 HTR2C (0.52) PREPCTSKNPSR1TSHRL3MBTL1
SCHEMBL7251746 0.84 HTR2C (0.53) PREPNPSR1TSHRL3MBTL1HTR2C
SCHEMBL8220722 0.84 HTR2C (0.53) PREPNPSR1TSHRL3MBTL1HTR2C
SCHEMBL27736628 0.83 HTR2C (0.51) PREPNPSR1TSHRL3MBTL1HTR2C
Hydrochloric Acid SCHEMBL7013165 0.83 HTR2C (0.51) PREPCTSKNPSR1TSHRL3MBTL1
SCHEMBL27757498 0.83 HTR2C (0.51) PREPNPSR1TSHRL3MBTL1HTR2C
SCHEMBL8203518 0.83 PREP (0.47) KLK7KLK5PREPCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 US disclosed
CN-101541800-A Pteridine derivatives as polo-like kinase inhibitors useful in the treatment of cancer CHROMA THERAPEUTICS LTD (GB) 2009-09-23 CN disclosed
US-20090203711-A1 Inhibitors of P38 Map Kinase CHROMA THERAPEUTICS LTD. (GB) 2009-08-13 US disclosed
US-20090203711-A1 Inhibitors of P38 Map Kinase CHROMA THERAPEUTICS LTD. (GB) 2009-08-13 US disclosed
US-20090203711-A1 Inhibitors of P38 Map Kinase CHROMA THERAPEUTICS LTD. (GB) 2009-08-13 US disclosed
EP-2079743-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER Chroma Therapeutics Limited (GB) 2009-07-22 EP disclosed
EP-2016055-A1 INHIBITORS OF P38 MAP KINASE Chroma Therapeutics Limited (GB) 2009-01-21 EP disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed
WO-2007129036-A1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2007129036-A1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 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 (3 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-20090203711-A1 Inhibitors of P38 Map Kinase MAPK1, MAPK3, CNKSR1 KLK7 4628/4885KLK5 4636/4885PREP 477/4885
US-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 KLK7 3883/4885KLK5 3942/4885PREP 699/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 KLK7 4067/4885KLK5 4442/4885PREP 3021/4885

“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.