SCHEMBL15724912

SCHEMBL15724912

CC(C)OC(=O)Nc1nnc(CCS(=O)(=O)CCc2nnc(NC(=O)OC(C)C)s2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ RECQL P46063 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GLS O94925 4/20 0.46
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL21443458 0.91 TSHR (0.43) TSHRRECQLLMNACSNK2A2CSNK2A1
SCHEMBL20340837 0.90 TSHR (0.42) TSHRRECQLLMNACSNK2A2CSNK2A1
SCHEMBL15724910 0.84 KDM4E (0.60) TSHRRECQLLMNACSNK2A2CSNK2A1
SCHEMBL21443392 0.82 GLS (0.65) TSHRGLS
SCHEMBL15724903 0.81 CA1 (0.58) TSHRRECQLLMNAALDH1A1PKM
SCHEMBL17193290 0.75 GLS (0.65) TSHRLMNAALDH1A1PKMHTT
SCHEMBL15724908 0.74 SMN1; SMN2 (0.72) LMNAALDH1A1GLSPOLBSMN1; SMN2
SCHEMBL21443347 0.73 KDM4E (0.50) TSHRRECQLLMNACSNK2A2CSNK2A1
SCHEMBL21443427 0.71 ALDH1A1 (0.50) TSHRRECQLLMNAALDH1A1NPSR1
SCHEMBL20340827 0.71 CA1 (0.46) RECQLLMNAALDH1A1PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 — — EP disclosed
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 — — US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-9303002-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-04-05 — — US disclosed
US-9303002-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-04-05 — — US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 — — US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 — — US disclosed
WO-2014081925-A1 GLUTAMASE INHIBITORS AND METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — US disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — 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 (4 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL TSHR 4186/4885RECQL 1821/4885LMNA 4027/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL TSHR 4186/4885RECQL 1821/4885LMNA 4027/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL TSHR 4337/4885RECQL 2133/4885LMNA 4026/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL TSHR 4360/4885RECQL 1355/4885LMNA 3478/4885

“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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