SCHEMBL21360271

SCHEMBL21360271

O=C(CC1CCCCO1)Nc1nnc(CCS(=O)(=O)CCc2nnc(NC(=O)OC3CCCCO3)s2)s1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 8/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL15724922 0.91 GLS (0.50) GLSTSHRALDH1A1SMN1; SMN2DGAT1
SCHEMBL21443355 0.83 GLS (0.45) GLSTSHRALDH1A1SMN1; SMN2DGAT1
SCHEMBL21443408 0.77 GLS (0.67) GLS
SCHEMBL15724903 0.67 CA1 (0.58) GLSTSHRALDH1A1HSD17B10POLB
SCHEMBL15725047 0.65 ALDH1A1 (0.63) GLSTSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15725232 0.65 ALDH1A1 (0.63) GLSTSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15724912 0.64 TSHR (0.51) GLSTSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17655079 0.64 GLS (0.71) GLSALDH1A1HSD17B10CA2
SCHEMBL14987001 0.64 GLS (0.89) GLSALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL15727744 0.64 GLS (0.89) GLSALDH1A1SMN1; SMN2HSD17B10RAB9A

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-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 — — 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-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL GLS 1/4885TSHR 4186/4885ALDH1A1 553/4885

“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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