SCHEMBL554868

SCHEMBL554868

N#C[C@@H](c1ccccc1-c1ccc(Cl)cc1)C1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.47
BCL2L1 Q07817 2/20 0.47
USP2 O75604 1/20 0.42
CASR P41180 3/20 0.41
ENPP2 Q13822 1/20 0.41
BAK1 Q16611 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 3/20 0.38
CNR2 P34972 2/20 0.38
MGLL Q99685 2/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL554243 1.00 BCL2 (0.47) BCL2BCL2L1USP2CASRENPP2
SCHEMBL554242 1.00 BCL2 (0.47) BCL2BCL2L1USP2CASRENPP2
Hydrochloric Acid SCHEMBL555006 0.99 BCL2 (0.47) BCL2BCL2L1USP2CASRENPP2
Hydrochloric Acid SCHEMBL555336 0.99 BCL2 (0.47) BCL2BCL2L1USP2CASRENPP2
SCHEMBL10225261 0.87 BCL2 (0.45) BCL2BCL2L1USP2BAK1ALDH1A1
SCHEMBL10225260 0.87 BCL2 (0.45) BCL2BCL2L1USP2BAK1ALDH1A1
SCHEMBL10225272 0.87 BCL2 (0.45) BCL2BCL2L1USP2BAK1ALDH1A1
SCHEMBL554607 0.86 BCL2 (0.46) BCL2BCL2L1BAK1CNR1CNR2
SCHEMBL554432 0.86 BCL2 (0.46) BCL2BCL2L1BAK1CNR1CNR2
SCHEMBL554433 0.86 BCL2 (0.46) BCL2BCL2L1BAK1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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

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 BCL2 1/4885BCL2L1 2/4885USP2 2802/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX BCL2 1/4885BCL2L1 2/4885USP2 2802/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX BCL2 1/4885BCL2L1 2/4885USP2 2802/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 BCL2 1/4885BCL2L1 6/4885USP2 1616/4885

“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.