SCHEMBL17019095

SCHEMBL17019095

CC(=O)NCC(O)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL14158926 0.83 CYP2D6 (0.48) CCNE2CCNE1CDK2ADRB2ADRB1
SCHEMBL11890836 0.82 KDM4E (0.32) CCNE2CCNE1CDK2KDM4EMAPK1
SCHEMBL13411703 0.81 KDM4E (0.43) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL19483415 0.80 CCNE2 (0.32) CCNE2CCNE1CDK2
SCHEMBL19483406 0.80 CCNE2 (0.32) CCNE2CCNE1CDK2
SCHEMBL17019098 0.79 EPHX1 (0.34) CCNE2CCNE1CDK2ALDH1A1
SCHEMBL21231186 0.78 MTNR1A (0.37) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL804956 0.77 KDM4E (0.33) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL15835816 0.75
SCHEMBL16015603 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2018-06-14 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 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-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CCNE2 4640/4885CCNE1 4737/4885CDK2 4395/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CCNE2 4640/4885CCNE1 4737/4885CDK2 4395/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CCNE2 4033/4885CCNE1 4317/4885CDK2 4210/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CCNE2 4640/4885CCNE1 4737/4885CDK2 4395/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CCNE2 4640/4885CCNE1 4737/4885CDK2 4395/4885

“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.