SCHEMBL17019098

SCHEMBL17019098

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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 0.79 CYP2D6 (0.48) CCNE2CCNE1CDK2
SCHEMBL17019095 0.79 CCNE2 (0.37) ALDH1A1CCNE2CCNE1CDK2
SCHEMBL7108962 0.77 EPHX1 (0.38) EPHX1MAPTALDH1A1RAB9A
SCHEMBL7108959 0.77 EPHX1 (0.38) EPHX1MAPTALDH1A1RAB9A
SCHEMBL13037022 0.75 GABRR1 (0.38) EPHX1MAPTALDH1A1RAB9A
SCHEMBL13592491 0.75 MTNR1A (0.40) EPHX1MAPTALDH1A1
SCHEMBL9975569 0.72
SCHEMBL10614591 0.72
SCHEMBL9975570 0.72
SCHEMBL570033 0.71 MEN1 (0.50) EPHX1

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 EPHX1 1782/4885MAPT 4484/4885ALDH1A1 1961/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 EPHX1 1782/4885MAPT 4484/4885ALDH1A1 1961/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 EPHX1 1192/4885MAPT 4731/4885ALDH1A1 2535/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 EPHX1 1782/4885MAPT 4484/4885ALDH1A1 1961/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 EPHX1 1782/4885MAPT 4484/4885ALDH1A1 1961/4885

“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.