SCHEMBL1491649

SCHEMBL1491649

CC(C)CO[C@H](C)ONC(=O)CCCCCCC(=O)Nc1ccc(CNC(C(=O)OC2CCCC2)C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
ENPP2 Q13822 7/20 0.39
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPRF P10586 4/20 0.34
PTPN2 P17706 4/20 0.34
PTPN1 P18031 4/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CDK9 P50750 1/20 0.33
METAP2 P50579 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL1491646 1.00 ALDH1A1 (0.42) ALDH1A1HTTENPP2ITGB3ITGB1
SCHEMBL1491650 1.00 ALDH1A1 (0.42) ALDH1A1HTTENPP2ITGB3ITGB1
SCHEMBL12536063 0.94 ALDH1A1 (0.36) ALDH1A1HTTENPP2ITGB3ITGB1
SCHEMBL1491389 0.86 MMP2 (0.40) ALDH1A1HTTENPP2SMN1; SMN2HDAC3
SCHEMBL13627382 0.86 MMP2 (0.40) ALDH1A1HTTENPP2SMN1; SMN2HDAC3
SCHEMBL1491385 0.86 MMP2 (0.40) ALDH1A1HTTENPP2SMN1; SMN2HDAC3
SCHEMBL1491386 0.86 MMP2 (0.40) ALDH1A1HTTENPP2SMN1; SMN2HDAC3
SCHEMBL1491687 0.84 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2HDAC3HDAC1
SCHEMBL1491691 0.84 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2HDAC3HDAC1
SCHEMBL8203526 0.79 ITGB3 (0.41) ALDH1A1ITGB3ITGB1ITGAVITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 ALDH1A1 220/4885HTT 3600/4885ENPP2 2675/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 ALDH1A1 723/4885HTT 4755/4885ENPP2 1056/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ALDH1A1 1343/4885HTT 4861/4885ENPP2 635/4885

“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.