SCHEMBL553419

SCHEMBL553419

CCNCCOP(=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.40
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL10225642 0.90 CYP3A4 (0.33) SAT1CYP3A4
SCHEMBL10951281 0.83 CYP3A4 (0.48) SAT1CYP3A4TSHRMEN1GLA
SCHEMBL553373 0.80 CYP3A4 (0.32) CYP3A4
SCHEMBL28145300 0.78 SAT1 (0.43) SAT1CYP3A4TSHRMEN1GLA
SCHEMBL3815405 0.77 CYP3A4 (0.46) CYP3A4TSHRMEN1KMT2A
SCHEMBL31480645 0.76 MAOA (0.34)
SCHEMBL25169877 0.74 CA12 (0.33) MEN1KMT2A
SCHEMBL3817581 0.74 CYP3A4 (0.67) CYP3A4TSHR
SCHEMBL5908938 0.73 CYP3A4 (0.46) CYP3A4TSHRMEN1KMT2A
SCHEMBL28853056 0.72 SAT1 (0.38) SAT1TSHRMEN1GLACYP2C19

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 23 patents — showing the first 20. 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
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-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US 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-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 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-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-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 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
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 SAT1 4768/4885CYP3A4 1309/4885TSHR 4502/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX SAT1 4768/4885CYP3A4 1309/4885TSHR 4502/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX SAT1 4768/4885CYP3A4 1309/4885TSHR 4502/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 SAT1 1834/4885CYP3A4 3076/4885TSHR 4296/4885

“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.