SCHEMBL2677449

SCHEMBL2677449

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CSNK1D P48730 1/20 0.40
CFTR P13569 1/20 0.40
NQO2 P16083 1/20 0.40
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
KCNA5 P22460 1/20 0.39
TP53BP1 Q12888 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL1822980 0.81 SORT1 (0.46) ESRRGNPC1RAB9AALDH1A1POLB
SCHEMBL8980575 0.80 ALDH1A1 (0.54) ESRRGNPC1RAB9AALDH1A1POLB
SCHEMBL15121169 0.79 DDR1 (0.42) RXFP1CSNK1D
SCHEMBL1822050 0.79 MRGPRX4 (0.46) ESRRGNPC1RAB9AALDH1A1POLB
SCHEMBL1657927 0.79 ESRRG (0.56) ESRRGNPC1ACHEBACE1ALDH1A1
SCHEMBL4455829 0.78 P2RX1 (0.46) ESRRGNPC1RAB9AALDH1A1POLB
SCHEMBL19300897 0.78 RHOC (0.50) RXFP1ALDH1A1POLBCACNA1HCACNA1B
SCHEMBL3590930 0.77 CFTR (0.49) RXFP1ALDH1A1CFTRCA12CA1
SCHEMBL17623617 0.76 TP53BP1 (0.51) RAB9AALDH1A1TP53BP1
SCHEMBL13142979 0.75 MRGPRX4 (0.52) ESRRGNPC1RAB9AALDH1A1POLB

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-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2021-06-10 US disclosed
US-20200046738-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2020-02-13 US disclosed
US-20180325923-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2018-11-15 US disclosed
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-9708245-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9458094-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-9272984-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9139516-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9085527-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-8735378-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-8735379-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-8729293-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2014-05-20 US disclosed
US-20120238756-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
US-20120238585-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
US-20120238530-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
US-20120238586-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
US-8173831-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-20100184730-A1 Fatty Acid Acylated Salicylates and Their Uses CATABASIS PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2010-02-18 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 (11 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-20200046738-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20120238585-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20180325923-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20120238586-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20120238756-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20160083336-A1 FATTY ACID ACYLATED SALICYLATES AND THEIR USES FADS1, FASN, ALOX5 ESRRG 2633/4885NPC1 654/4885RAB9A 4183/4885
US-20120238530-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ESRRG 1912/4885NPC1 410/4885RAB9A 4462/4885
US-20100184730-A1 Fatty Acid Acylated Salicylates and Their Uses FADS1, FASN, ALOX5 ESRRG 2633/4885NPC1 654/4885RAB9A 4183/4885

“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.