SCHEMBL1657299

SCHEMBL1657299

NCCSSCCNC(=O)c1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
HPGD P15428 3/20 0.52
NAAA Q02083 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NLRP1 Q9C000 1/20 0.52
ALOX5 P09917 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ESRRG P62508 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MPO P05164 1/20 0.46
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL3341896 0.92 HPGD (0.59) NPC1HPGDNAAAALDH1A1MAPT
SCHEMBL12708236 0.88 NPC1 (0.52) NPC1HPGDNAAAALDH1A1MAPT
SCHEMBL1657777 0.86 HPGD (0.57) NPC1HPGDNAAAALDH1A1MAPT
SCHEMBL13016551 0.86 NPC1 (0.54) NPC1HPGDNAAAALDH1A1MAPT
SCHEMBL1659899 0.84 HTT (0.61) NPC1HPGDNAAAALDH1A1MAPT
Ethylenediamine SCHEMBL1543305 0.82 HTT (0.59) NPC1HPGDNAAAALDH1A1MAPT
SCHEMBL1754800 0.81 TSHR (0.67) NPC1HPGDNAAAALDH1A1MAPT
SCHEMBL31119121 0.80 HTT (0.69) NPC1HPGDNAAAALDH1A1MAPT
SCHEMBL31119120 0.80 HTT (0.69) NPC1HPGDNAAAALDH1A1MAPT
SCHEMBL5707054 0.80 HTT (0.69) NPC1HPGDNAAAALDH1A1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708245-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9708245-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9708245-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-9085527-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-9085527-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-9085527-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-8946451-B2 Lipoic acid acylated salicylate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-8846972-B2 2014-09-30 US disclosed
US-8846972-B2 2014-09-30 US disclosed
WO-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed
WO-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 US disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 US disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 US disclosed
US-20100184730-A1 Fatty Acid Acylated Salicylates and Their Uses CATABASIS PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184730-A1 Fatty Acid Acylated Salicylates and Their Uses CATABASIS PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184730-A1 Fatty Acid Acylated Salicylates and Their Uses CATABASIS PHARMACEUTICALS, INC. 2010-07-22 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 (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-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES ACACA, ACAT2, ACACB NPC1 593/4885HPGD 407/4885NAAA 107/4885
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES FADS1, FASN, ALOX5 NPC1 654/4885HPGD 338/4885NAAA 143/4885
US-20100184730-A1 Fatty Acid Acylated Salicylates and Their Uses FADS1, FASN, ALOX5 NPC1 654/4885HPGD 338/4885NAAA 143/4885

“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.