SCHEMBL6522516

SCHEMBL6522516

COC(=O)C(CCCCC(=O)OC(C)(C)C)NC(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TBXAS1 P24557 2/20 0.43
LMNA P02545 1/20 0.43
HDAC4 P56524 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
MEF2D Q14814 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6522512 1.00 KMT2A (0.44) KMT2AMEN1TBXAS1LMNAHDAC4
SCHEMBL6520376 0.91 GPR132 (0.47) TBXAS1LMNAHDAC4HDAC3HDAC1
SCHEMBL19983238 0.86 TDP1 (0.52) KMT2AMEN1RAB9ACYP3A4ALDH1A1
SCHEMBL22460581 0.84 CYP3A4 (0.49) KMT2AMEN1RAB9ACYP3A4ALDH1A1
SCHEMBL22460574 0.84 CYP3A4 (0.49) KMT2AMEN1RAB9ACYP3A4ALDH1A1
SCHEMBL30737258 0.83 MEN1 (0.50) KMT2AMEN1LMNAHDAC1HDAC6
SCHEMBL25658960 0.83 LMNA (0.53) KMT2AMEN1LMNAHDAC3HDAC1
SCHEMBL6524155 0.82 ERAP2 (0.49) KMT2AMEN1LMNAHDAC4HDAC3
SCHEMBL6524153 0.82 ERAP2 (0.49) KMT2AMEN1LMNAHDAC4HDAC3
SCHEMBL22460628 0.82 TAS1R3 (0.55) KMT2AMEN1LMNAHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2018-02-01 US disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20160346397-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-12-01 US disclosed
US-9486534-B2 Niacin conjugated fatty acid mixtures and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-11-08 US disclosed
EP-2473045-B1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-08-17 EP disclosed
US-9238077-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-01-19 US disclosed
US-20150352094-A1 USE OF FATTY ACID NIACIN CONJUGATES FOR TREATING DISEASES CATABASIS PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2015-12-03 US disclosed
US-20150209439-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2015-07-30 US disclosed
US-8940903-B2 Niacin conjugated fatty acid mixtures and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-RE45275-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-RE45261-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140228413-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-8304551-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8304552-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-07-19 US disclosed
US-20110053990-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-03-03 US 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 (10 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-20110053990-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885MEN1 1887/4885TBXAS1 1291/4885
US-20140228413-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885MEN1 1887/4885TBXAS1 1291/4885
US-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 KMT2A 2543/4885MEN1 1682/4885TBXAS1 613/4885
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885MEN1 1887/4885TBXAS1 1291/4885
US-20150209439-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES FABP1, NAMPT, ADH1B KMT2A 3347/4885MEN1 2228/4885TBXAS1 1191/4885
US-20150352094-A1 USE OF FATTY ACID NIACIN CONJUGATES FOR TREATING DISEASES NAMPT, NNT, FASN KMT2A 3150/4885MEN1 1675/4885TBXAS1 1163/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 KMT2A 2543/4885MEN1 1682/4885TBXAS1 613/4885
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES FABP1, NAMPT, ADH1B KMT2A 3363/4885MEN1 2237/4885TBXAS1 1193/4885
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885MEN1 1887/4885TBXAS1 1291/4885
US-20160346397-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN KMT2A 2743/4885MEN1 1887/4885TBXAS1 1291/4885

“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.