SCHEMBL17793951

SCHEMBL17793951

CC(=O)Nc1cc2cc(C(C)(C)O)n(C[C@@H](O)CO)c2cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 10/20 0.54
▸ HTR2A P28223 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ MAPK14 Q16539 2/20 0.36
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ ACSS2 Q9NR19 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ MAP2K1 Q02750 2/20 0.30

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
SCHEMBL19656711 0.89 CFTR (0.54) CFTRHTR2APDE4DSCN5AMAPK14
SCHEMBL19656761 0.89 CFTR (0.54) CFTRHTR2APDE4DSCN5AMAPK14
SCHEMBL17793903 0.86 CFTR (0.48) CFTRHTR2APDE4DSCN5A
SCHEMBL19656691 0.84 CFTR (0.47) CFTRHTR2APDE4DSCN5AACSS2
SCHEMBL19651548 0.82 CFTR (0.47) CFTRHTR2APDE4DSCN5A
SCHEMBL19651573 0.82 CFTR (0.62) CFTRHTR2APDE4DSCN5AMAPK14
SCHEMBL17793953 0.79 CFTR (0.41) CFTRHTR2APDE4DSCN5A
SCHEMBL29592296 0.78 CFTR (0.59) CFTRHTR2APDE4DSCN5AMAPK14
SCHEMBL19412365 0.78 CFTR (0.59) CFTRHTR2APDE4DSCN5AMAPK14
SCHEMBL19027867 0.76 CFTR (0.55) CFTRHTR2APDE4DSCN5AMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — US disclosed
WO-2016086136-A1 FATTY ACID CYSTEAMINE CONJUGATES OF CFTR MODULATORS AND THEIR USE IN TREATING MEDICAL DISORDERS CATABASIS PHARMACEUTICALS, INC. (US) 2016-06-02 — — WO 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 (1 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 CFTR 182/4885HTR2A 2500/4885PDE4D 4428/4885

“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.

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