SCHEMBL19165692

SCHEMBL19165692

N=C(N)NCCC[C@H](NC(=O)C1CSSC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.36
▸ EPHX2 P34913 2/20 0.34
▸ SHMT1 P34896 1/20 0.34
▸ FOLH1 Q04609 6/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ ALB P02768 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ NRP1 O14786 2/20 0.32
▸ NAALAD2 Q9Y3Q0 1/20 0.32
▸ GNPAT O15228 1/20 0.31

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
SCHEMBL6561158 0.85 GRIN1 (0.44) EPHX2SMN1; SMN2GRIN1GRIN2A
SCHEMBL6562711 0.84 GRIN1 (0.45) EPHX2SMN1; SMN2GRIN1GRIN2A
SCHEMBL17104387 0.84 GRIN1 (0.45) EPHX2SMN1; SMN2GRIN1GRIN2A
SCHEMBL29005731 0.80 C3AR1 (0.43) C3AR1EPHX2SHMT1FOLH1SMN1; SMN2
SCHEMBL12971304 0.80 C3AR1 (0.43) C3AR1EPHX2SHMT1FOLH1SMN1; SMN2
SCHEMBL1765043 0.78 C3AR1 (0.45) C3AR1EPHX2SHMT1FOLH1SMN1; SMN2
SCHEMBL1765039 0.78 C3AR1 (0.45) C3AR1EPHX2SHMT1FOLH1SMN1; SMN2
SCHEMBL21095440 0.78 C3AR1 (0.42) C3AR1EPHX2SHMT1FOLH1SMN1; SMN2
SCHEMBL27864032 0.78 C3AR1 (0.42) C3AR1EPHX2SHMT1FOLH1SMN1; SMN2
SCHEMBL5490001 0.78 C3AR1 (0.45) C3AR1EPHX2SHMT1FOLH1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209413-A1 USE OF ASPARAGUSIC ACID AND DERIVATIVES THEREOF TO TREAT SYMPTOMS AND DISORDERS OF NEUROLOGICAL DISEASE WREEN JOSEPH (US) 2017-07-27 — — US disclosed
US-20170209413-A1 USE OF ASPARAGUSIC ACID AND DERIVATIVES THEREOF TO TREAT SYMPTOMS AND DISORDERS OF NEUROLOGICAL DISEASE WREEN JOSEPH (US) 2017-07-27 — — 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-20170209413-A1 USE OF ASPARAGUSIC ACID AND DERIVATIVES THEREOF TO TREAT SYMPTOMS AND DISORDERS OF NEUROLOGICAL DISEASE ASNS, ASPH, PMP22 C3AR1 4056/4885EPHX2 3224/4885SHMT1 286/4885

“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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