SCHEMBL5943436

SCHEMBL5943436

CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)NCCCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
USP2 O75604 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MRGPRX4 Q96LA9 3/20 0.47
BACE1 P56817 1/20 0.44
MCHR1 Q99705 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
TP53BP1 Q12888 1/20 0.41
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
ITGAL P20701 2/20 0.41
CDK1 P06493 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
POLB P06746 2/20 0.40
CFTR P13569 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
SCHEMBL16190215 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL15743620 0.84 FOLH1 (0.44) KDM4EHSD17B10NPC1RAB9AMCHR1
SCHEMBL13142986 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL12451930 0.82 NPC1 (0.46) KDM4ENPC1RAB9ACDK1POLB
SCHEMBL15215870 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL9085960 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL5943453 0.81 CYP2C19 (0.57) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL9084136 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL5943431 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL5943342 0.78 HCRTR1 (0.58) ALDH1A1KDM4EHPGDHSD17B10

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 20 patents. 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-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-9458094-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-10-04 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-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2015-04-09 US disclosed
EP-2813486-A1 Fatty acid acetylated salicylates and their uses Catabasis Pharmaceuticals, Inc. (US) 2014-12-17 EP disclosed
US-20140221323-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-08-07 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-20120238530-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-09-20 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-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-8173831-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2010-02-18 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 (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-20200046738-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20120238585-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20120238586-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20140221323-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20120238756-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885
US-20120238530-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 ALDH1A1 285/4885KDM4E 2493/4885USP2 992/4885

“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.