SCHEMBL6524147

SCHEMBL6524147

CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NAMPT P43490 1/20 0.51
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
EPHX2 P34913 2/20 0.48
USP2 O75604 1/20 0.48
STING1 Q86WV6 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL10331452 0.93 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3402444 0.91 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
Acetic Acid SCHEMBL28083299 0.88 KMT2A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6523383 0.87 KMT2A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL25028453 0.86 KMT2A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL18897531 0.85 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6523393 0.85 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL10331456 0.85 EPHX2 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6526112 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6524612 0.80 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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 33 patents — showing the first 20. 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-RE46605-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-RE46608-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
EP-3210972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) Catabasis Pharmaceuticals, Inc. (US) 2017-08-30 EP 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-9278136-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-9238077-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-01-19 US disclosed
US-20140113940-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
WO-2013177536-A2 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. (US) 2013-11-28 WO disclosed
US-8304552-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8304551-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-20120264791-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-18 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
EP-2473045-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2012-07-11 EP disclosed
WO-2011028689-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-03-10 WO 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 (8 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 RAB9A 1912/4885NPC1 29/4885SMN1; SMN2 1436/4885
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN RAB9A 1912/4885NPC1 29/4885SMN1; SMN2 1436/4885
US-20140113940-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN RAB9A 1912/4885NPC1 29/4885SMN1; SMN2 1436/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 RAB9A 1266/4885NPC1 71/4885SMN1; SMN2 4499/4885
US-20120264791-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN RAB9A 1912/4885NPC1 29/4885SMN1; SMN2 1436/4885
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES FABP1, NAMPT, ADH1B RAB9A 2278/4885NPC1 40/4885SMN1; SMN2 1674/4885
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN RAB9A 1912/4885NPC1 29/4885SMN1; SMN2 1436/4885
US-20160346397-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN RAB9A 1912/4885NPC1 29/4885SMN1; SMN2 1436/4885

“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.