SCHEMBL10225642

SCHEMBL10225642

CC(C)(C)OP(=O)(OCCNCCOP(=O)(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
SAT1 P21673 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL553419 0.90 SAT1 (0.40) CYP3A4SAT1
SCHEMBL553373 0.85 CYP3A4 (0.32) CYP3A4ALDH1A1
SCHEMBL31480645 0.81 MAOA (0.34)
SCHEMBL25169877 0.79 CA12 (0.33)
SCHEMBL3815405 0.77 CYP3A4 (0.46) CYP3A4ALDH1A1
SCHEMBL3424891 0.76 CYP3A4 (0.34) CYP3A4ALDH1A1
SCHEMBL3716029 0.76 CYP3A4 (0.34) CYP3A4ALDH1A1
SCHEMBL22772619 0.76 CYP3A4 (0.34) CYP3A4ALDH1A1
SCHEMBL20503103 0.76 ALDH1A1 (0.61) CYP3A4ALDH1A1
SCHEMBL3429790 0.76 CYP3A4 (0.34) CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601177-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2017-10-18 EP disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 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 (4 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-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX CYP3A4 1309/4885SAT1 4768/4885ALDH1A1 1025/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX CYP3A4 1309/4885SAT1 4768/4885ALDH1A1 1025/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX CYP3A4 1309/4885SAT1 4768/4885ALDH1A1 1025/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 CYP3A4 3076/4885SAT1 1834/4885ALDH1A1 2563/4885

“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.