SCHEMBL1491536

SCHEMBL1491536

CC(C)(C)OC(=O)NCc1ccc(CNCC(=O)OC2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.51
TPSAB1 Q15661 2/20 0.49
PRSS1 P07477 1/20 0.49
NAMPT P43490 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
S1PR1 P21453 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
ROCK2 O75116 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL12335551 0.82 EPHX1 (0.50) CACNA1BTDP1GAAMEN1KMT2A
SCHEMBL27711478 0.81 CACNA1B (0.45) CACNA1BTPSAB1PRSS1TPSD1TPSG1
SCHEMBL5283279 0.80 EPHX1 (0.52) CACNA1BTDP1GAACA2MEN1
SCHEMBL10233014 0.80 ALDH1A1 (0.52) CACNA1BNAMPTL3MBTL1HDAC1GAA
SCHEMBL1491399 0.79 CACNA1B (0.49) CACNA1BTPSAB1NAMPTL3MBTL1HDAC3
SCHEMBL1491397 0.79 CACNA1B (0.49) CACNA1BTPSAB1NAMPTL3MBTL1HDAC3
SCHEMBL27264455 0.79 CACNA1B (0.49) CACNA1BNAMPTL3MBTL1HDAC3HDAC1
SCHEMBL3180689 0.77 L3MBTL1 (0.61) NAMPTL3MBTL1HDAC1MAPTTDP1
SCHEMBL8202738 0.77 CACNA1B (0.48) CACNA1BTPSAB1NAMPTL3MBTL1HDAC3
SCHEMBL12072841 0.76 HTR2C (0.53) NAMPTL3MBTL1GAAFPR3FPR2

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 16 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-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
CN-101133060-B Enzyme inhibitors CHROMA THERAPEUTICS LTD 2013-06-05 CN disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US 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
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
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
CN-101133060-A Enzyme inhibitors CHROMA THERAPEUTICS LTD (GB) 2008-02-27 CN 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 CACNA1B 4367/4885TPSAB1 859/4885PRSS1 366/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CACNA1B 3073/4885TPSAB1 430/4885PRSS1 468/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CACNA1B 3503/4885TPSAB1 791/4885PRSS1 562/4885

“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.