SCHEMBL192830

SCHEMBL192830

CC(C)(C)OC(=O)NC(CCCO)C(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CACNA1B Q00975 5/20 0.48
CTSK P43235 4/20 0.45
CTSS P25774 3/20 0.43
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL192829 1.00 HDAC4 (0.49) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL192990 0.92 CACNA1B (0.50) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL490639 0.92 CACNA1B (0.50) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL192989 0.92 CACNA1B (0.50) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL193388 0.89 CACNA1B (0.50) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL13421951 0.89 HDAC4 (0.48) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL30022028 0.89 CTSK (0.56) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL193387 0.89 CACNA1B (0.50) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL375989 0.89 CACNA1B (0.50) HDAC4HDAC1HDAC6CACNA1BCTSK
SCHEMBL14206946 0.89 HDAC4 (0.48) HDAC4HDAC1HDAC6CACNA1BCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217050-B2 Adenine derivative as inhibitors of HSP90 for the treatment of cancer CHROMA THERAPEUTICS LIMITED (GB) 2012-07-10 US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
EP-1877383-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2011-09-07 EP disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
US-20100035901-A1 ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. 2010-02-11 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
EP-2086956-A1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Limited (GB) 2009-08-12 EP disclosed
EP-2084161-A1 ADENINE DERIVATIVES AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER Chroma Therapeutics Limited (GB) 2009-08-05 EP disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 US disclosed
WO-2008056120-A1 ADENINE DERIVATIVES AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2008-05-15 WO disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
EP-1877383-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117552-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY 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 (4 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 HDAC4 7/4885HDAC1 1/4885HDAC6 22/4885
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK HDAC4 2279/4885HDAC1 1215/4885HDAC6 4222/4885
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CDK1, AURKC, CSNK1G3 HDAC4 1741/4885HDAC1 423/4885HDAC6 1980/4885
US-20100035901-A1 ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER HSP90AA1, HSP90AB1, HSP90B1 HDAC4 2763/4885HDAC1 1311/4885HDAC6 1034/4885

“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.