SCHEMBL15724916

SCHEMBL15724916

COc1ccc(CC(=O)Nc2nnc(CCS(=O)(=O)CCc3nnc(NC(=O)Cc4ccc(OC)c(OC)c4)s3)s2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.80
LMNA P02545 2/20 0.64
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CFTR P13569 4/20 0.61
GUSB P08236 1/20 0.61
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
APEX1 P27695 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL14987148 0.89 GLS (1.00) GLSLMNACYP2C9CYP2C19CFTR
SCHEMBL14987166 0.86 GLS (1.00) GLSLMNACYP2C9CYP2C19ALDH1A1
SCHEMBL15724919 0.86 GLS (0.79) GLSLMNAALDH1A1MAPTPKM
SCHEMBL15727673 0.85 GLS (0.92) GLSLMNACYP2C9CYP2C19CFTR
SCHEMBL15748887 0.84 GLS (0.90) GLSLMNACYP2C9CYP2C19CFTR
SCHEMBL21443396 0.82 GLS (0.92) GLSLMNACYP2C9CYP2C19CFTR
SCHEMBL15724894 0.79 GLS (0.76) GLS
SCHEMBL15748890 0.77 GLS (0.79) GLS
SCHEMBL21360273 0.76 GLS (0.67) GLS
SCHEMBL19061874 0.76 CFTR (1.00) GLSCYP2C9CYP2C19CFTRGUSB

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 GLS 1/4885LMNA 4027/4885CYP2C9 1560/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL GLS 1/4885LMNA 4027/4885CYP2C9 1560/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL GLS 1/4885LMNA 4026/4885CYP2C9 1444/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885LMNA 3478/4885CYP2C9 2121/4885

“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.