SCHEMBL10163625

SCHEMBL10163625

CCC1CC(=O)c2ccc(OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
PDE5A O76074 1/20 0.47
CYP19A1 P11511 7/20 0.47
MAOB P27338 4/20 0.47
METAP1 P53582 2/20 0.47
CYP3A4 P08684 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PSMB5 P28074 1/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
ACHE P22303 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
SCHEMBL2419303 0.89 LMNA (0.48) LMNAGAAKDM4EALDH1A1SIGMAR1
SCHEMBL5679577 0.85 LMNA (0.47) LMNAGAAKDM4EALDH1A1SIGMAR1
SCHEMBL15724892 0.85 LMNA (0.50) LMNAGAAKDM4EALDH1A1SIGMAR1
SCHEMBL503654 0.84 SIGMAR1 (0.57) LMNAGAAKDM4EALDH1A1SIGMAR1
SCHEMBL1207853 0.83 SIGMAR1 (0.56) LMNAGAAKDM4EALDH1A1SIGMAR1
SCHEMBL6461145 0.83 SIGMAR1 (0.53) LMNAGAAKDM4EALDH1A1SIGMAR1
SCHEMBL13485788 0.81 PDE5A (0.67) LMNAGAAKDM4EALDH1A1SIGMAR1
SCHEMBL5266396 0.80 KDM4E (0.56) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL22319275 0.79 GAA (0.52) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL22319274 0.79 GAA (0.52) LMNAGAAKDM4EALDH1A1CYP19A1

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-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-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 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 (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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB LMNA 2529/4885GAA 4792/4885KDM4E 1244/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 LMNA 1371/4885GAA 1190/4885KDM4E 1503/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL LMNA 4026/4885GAA 24/4885KDM4E 959/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB LMNA 4447/4885GAA 4160/4885KDM4E 2640/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL LMNA 3478/4885GAA 19/4885KDM4E 800/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 LMNA 1220/4885GAA 1096/4885KDM4E 1640/4885

“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.