SCHEMBL23323337

SCHEMBL23323337

CC(=O)N[C@@H](CSSCCC(=O)NCCCC(=O)OC1CCCCCCCCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NAAA Q02083 2/20 0.39
▸ ITGB1 P05556 2/20 0.37
▸ ITGA4 P13612 2/20 0.37
▸ ALB P02768 2/20 0.34
▸ FOLH1 Q04609 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32

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
SCHEMBL23323338 1.00 EPHX2 (0.40) EPHX2SMN1; SMN2NAAAITGB1ITGA4
SCHEMBL23552243 1.00 EPHX2 (0.40) EPHX2SMN1; SMN2NAAAITGB1ITGA4
SCHEMBL23566950 1.00 EPHX2 (0.40) EPHX2SMN1; SMN2NAAAITGB1ITGA4
SCHEMBL18811277 0.84 FOLH1 (0.40) SMN1; SMN2ITGB1ITGA4ALBFOLH1
SCHEMBL20999267 0.81 ITGB1 (0.36) SMN1; SMN2NAAAITGB1ITGA4EPHX1
SCHEMBL23566949 0.79 NAAA (0.49) EPHX2SMN1; SMN2NAAAEPHX1
SCHEMBL21261925 0.76 ALDH1A1 (0.49) EPHX2SMN1; SMN2
SCHEMBL18811817 0.76 ALDH1A1 (0.49) EPHX2SMN1; SMN2
SCHEMBL18814368 0.76 ALDH1A1 (0.49) EPHX2SMN1; SMN2
SCHEMBL25619253 0.71 SMN1; SMN2 (0.39) EPHX2SMN1; SMN2

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-20210128509-A1 USE OF MAGNETIC RESONANCE SPECTROSCOPY TO CALIBRATE AND SELECT DOSES, FORMULATIONS, AND DEVICES FOR INTRA-NASAL ADMINISTRATION OF N-ACETYLCYSTEINE Neuronasal, Inc. 2021-05-06 — — 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-20210128509-A1 USE OF MAGNETIC RESONANCE SPECTROSCOPY TO CALIBRATE AND SELECT DOSES, FORMULATIONS, AND DEVICES FOR INTRA-NASAL ADMINISTRATION OF N-ACETYLCYSTEINE NQO1, AANAT, TXN2 EPHX2 4281/4885SMN1; SMN2 266/4885NAAA 197/4885

“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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