SCHEMBL2374158

SCHEMBL2374158

Cc1cccc(CC(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
P2RX7 Q99572 1/20 0.39
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6775183 0.88 KMT2A (0.44) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL15418113 0.83 MTNR1A (0.39) KMT2AMEN1RAB9ANPSR1ALDH1A1
SCHEMBL10381880 0.81 MEN1 (0.52) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL2373934 0.80 P2RX7 (0.43) KMT2AP2RX7
SCHEMBL1135252 0.80 ALDH1A1 (0.48) KMT2AMEN1OPRM1OPRD1RAB9A
SCHEMBL6900384 0.79 P2RX7 (0.46) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL22633342 0.79 MRGPRX4 (0.45) RAB9ANPSR1GRM5NPC1SMN1; SMN2
SCHEMBL15728140 0.78 KMT2A (0.34) KMT2ARAB9ANPSR1ALDH1A1KDM4E
SCHEMBL30191609 0.78 KMT2A (0.41) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL22035812 0.78 KMT2A (0.41) KMT2AMEN1OPRM1OPRD1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954686-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS Calithera Biosciences, Inc. (US) 2022-02-16 EP disclosed
US-20210292289-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2021-09-23 US disclosed
EP-2920168-B1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES INC (US) 2021-07-21 EP disclosed
US-10793535-B2 Heterocyclic glutaminase inhibitors CALITHERA BIOSCIENCES, INC. (US) 2020-10-06 US disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 US disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 US disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
US-20140194421-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2014-07-10 US disclosed
US-20140194421-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2014-07-10 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-08-12 US disclosed
US-7732457-B2 Amino-pyridines as inhibitors of β-secretase WYETH LLC (US) 2010-06-08 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 (5 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-10793535-B2 Heterocyclic glutaminase inhibitors GLS, GLS2, GLUL KMT2A 910/4885MEN1 923/4885OPRM1 4852/4885
US-20140194421-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS GLS, GLS2, GLUL KMT2A 910/4885MEN1 923/4885OPRM1 4852/4885
US-20210292289-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS GLS, GLS2, GLUL KMT2A 910/4885MEN1 923/4885OPRM1 4852/4885
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase BACE1, BACE2, APP KMT2A 1977/4885MEN1 3588/4885OPRM1 4535/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL KMT2A 533/4885MEN1 1270/4885OPRM1 4858/4885

“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.