SCHEMBL10175162

SCHEMBL10175162

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
ENPP2 Q13822 1/20 0.41
CASR P41180 3/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
BCL2 P10415 7/20 0.40
BAK1 Q16611 2/20 0.40
BCL2L1 Q07817 6/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
NOTUM Q6P988 1/20 0.39
CCR1 P32246 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
SCHEMBL10175160 1.00 USP2 (0.43) USP2ENPP2CASRALDH1A1LMNA
SCHEMBL10175166 0.87 POLB (0.43) USP2ALDH1A1BCL2BAK1BCL2L1
SCHEMBL10175167 0.87 POLB (0.43) USP2ALDH1A1BCL2BAK1BCL2L1
SCHEMBL10175165 0.87 POLB (0.43) USP2ALDH1A1BCL2BAK1BCL2L1
SCHEMBL554396 0.86 BCL2L1 (0.46) USP2ENPP2CASRALDH1A1LMNA
SCHEMBL31451040 0.86 BCL2L1 (0.46) USP2ENPP2CASRALDH1A1LMNA
SCHEMBL553747 0.86 BCL2L1 (0.46) USP2ENPP2CASRALDH1A1LMNA
SCHEMBL31450836 0.86 BCL2L1 (0.46) USP2ENPP2CASRALDH1A1LMNA
SCHEMBL553748 0.86 BCL2L1 (0.46) USP2ENPP2CASRALDH1A1LMNA
SCHEMBL10175306 0.86 BCL2 (0.39) BCL2BAK1BCL2L1CCR1

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 6 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-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 USP2 2802/4885ENPP2 543/4885CASR 4656/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX USP2 2802/4885ENPP2 543/4885CASR 4656/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX USP2 2802/4885ENPP2 543/4885CASR 4656/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 USP2 1616/4885ENPP2 627/4885CASR 4632/4885

“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.