SCHEMBL14987409

SCHEMBL14987409

CC(C)(C)OC(=O)C(CSCC(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)c1ccc(Cl)nn1)(C(=O)OC(C)(C)C)c1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.37
STS P08842 2/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 2/20 0.32
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
KDM1A O60341 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 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
SCHEMBL247624 0.72 KMT2A (0.46) LMNAKMT2AMAPTTSHRALDH1A1
SCHEMBL30628250 0.72 KMT2A (0.46) LMNAKMT2AMAPTTSHRALDH1A1
SCHEMBL31292247 0.68 LMNA (0.43) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL245602 0.68 ABCB11 (0.44) LMNAKMT2ATSHRPOLBPPARA
SCHEMBL249487 0.68 CNR2 (0.46) LMNAKMT2ATSHRPOLBPPARA
SCHEMBL20046201 0.66 LMNA (0.55) LMNAKMT2ACA12CA1CA2
SCHEMBL30670211 0.66 LMNA (0.55) LMNAKMT2ACA12CA1CA2
SCHEMBL31043005 0.66 STS (0.48) KMT2AMAPTSTSALDH1A1MAPK1
SCHEMBL5954700 0.65 LMNA (0.42) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL30548350 0.65 LMNA (0.47) LMNAKMT2AMAPTTSHRSMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 US disclosed
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 EP disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed
US-20170369485-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE SYNHALE THERAPEUTICS INC. 2017-12-28 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
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 US disclosed
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 US disclosed
US-8865718-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2014-10-21 US disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 WO disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 WO 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 (6 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-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL LMNA 4535/4885KMT2A 850/4885MAPT 3123/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL LMNA 4535/4885KMT2A 850/4885MAPT 3123/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL LMNA 4535/4885KMT2A 850/4885MAPT 3123/4885
US-20170369485-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL LMNA 4535/4885KMT2A 850/4885MAPT 3123/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL LMNA 4403/4885KMT2A 533/4885MAPT 4290/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL LMNA 4535/4885KMT2A 850/4885MAPT 3123/4885

“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.