SCHEMBL19651548

SCHEMBL19651548

CC[C@H](O)Cn1c(C(C)(C)O)cc2cc(NC(=O)C(C)C)c(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 10/20 0.47
▸ HTR2A P28223 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ FPR2 P25090 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GAA P10253 1/20 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 0.93 CFTR (0.54) CFTRHTR2APDE4DSCN5AKDM4E
SCHEMBL19651573 0.85 CFTR (0.62) CFTRHTR2APDE4DSCN5AKDM4E
SCHEMBL19656761 0.82 CFTR (0.54) CFTRHTR2APDE4DSCN5ATSHR
SCHEMBL17793951 0.82 CFTR (0.54) CFTRHTR2APDE4DSCN5A
SCHEMBL19651529 0.77 CFTR (0.34) CFTRHTR2APDE4DSCN5AGRIN1
SCHEMBL19656691 0.77 CFTR (0.47) CFTRHTR2APDE4DSCN5A
SCHEMBL17793903 0.77 CFTR (0.48) CFTRHTR2APDE4DSCN5A
SCHEMBL29592296 0.71 CFTR (0.59) CFTRHTR2APDE4DSCN5ATSHR
SCHEMBL19412365 0.71 CFTR (0.59) CFTRHTR2APDE4DSCN5ATSHR
SCHEMBL19651539 0.70 KDM4E (0.40) KDM4ETSHRHSD17B10LMNAGAA

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 1 patent. 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

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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