Sugi Predict

Sugi Predict / Compounds / SCHEMBL553729

SCHEMBL553729

SCHEMBL553729

CC(C)(C)OC(=O)N1CCC([C@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CACNB4 O00305 2/20 0.48
▸ CACNA1A O00555 2/20 0.48
▸ CACNA1G O43497 2/20 0.48
▸ CACNG3 O60359 2/20 0.48
▸ CACNA1F O60840 2/20 0.48
▸ CACNA1H O95180 2/20 0.48
▸ CACNB3 P54284 2/20 0.48
▸ CACNA2D1 P54289 2/20 0.48
▸ CACNG7 P62955 2/20 0.48
▸ CACNA1B Q00975 2/20 0.48
▸ CACNA1D Q01668 2/20 0.48
▸ CACNB1 Q02641 2/20 0.48
▸ CACNG1 Q06432 2/20 0.48
▸ CACNB2 Q08289 2/20 0.48
▸ CACNA1S Q13698 2/20 0.48
▸ CACNA1C Q13936 2/20 0.48
▸ CACNA1E Q15878 2/20 0.48
▸ CACNA2D4 Q7Z3S7 2/20 0.48

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
SCHEMBL31450899 1.00 MEN1 (0.50) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL554530 1.00 MEN1 (0.50) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL553728 1.00 MEN1 (0.50) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL25992743 0.90 MMP13 (0.52) MEN1KMT2AEEDRBBP4SUZ12
SCHEMBL25994396 0.88 MMP13 (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL26649109 0.86 STS (0.45) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL553509 0.86 GPR119 (0.49) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL553508 0.86 GPR119 (0.49) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL554690 0.86 GPR119 (0.49) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL26648836 0.83 GPR119 (0.48) MEN1KMT2ACACNB4CACNA1ACACNA1G

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 7 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

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 MEN1 2368/4885KMT2A 2562/4885CACNB4 2318/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX MEN1 2368/4885KMT2A 2562/4885CACNB4 2318/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX MEN1 2368/4885KMT2A 2562/4885CACNB4 2318/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 MEN1 4724/4885KMT2A 1548/4885CACNB4 2707/4885

“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.