Sugi Predict

Sugi Predict / Compounds / SCHEMBL376844

SCHEMBL376844

SCHEMBL376844

N=C(NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 14/20 0.76
▸ BCL2 P10415 10/20 0.73
▸ MDM4 O15151 1/20 0.73
▸ BCL2L11 O43521 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ BID P55957 1/20 0.73
▸ BAX Q07812 1/20 0.73
▸ MCL1 Q07820 1/20 0.73
▸ ASPH Q12797 1/20 0.73
▸ BECN1 Q14457 1/20 0.73
▸ BAK1 Q16611 1/20 0.73
▸ BCL2L2 Q92843 1/20 0.73
▸ BAD Q92934 1/20 0.73
▸ BBC3 Q9BXH1 1/20 0.73
▸ HDAC3 O15379 5/20 0.69
▸ HDAC4 P56524 5/20 0.69
▸ HDAC1 Q13547 5/20 0.69
▸ HDAC7 Q8WUI4 5/20 0.69
▸ HDAC2 Q92769 5/20 0.69
▸ HDAC10 Q969S8 5/20 0.69

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
SCHEMBL1540264 0.94 BCL2L1 (0.86) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540658 0.92 BCL2L1 (0.83) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1541558 0.90 BCL2L1 (0.87) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1542262 0.90 BCL2L1 (0.87) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540582 0.90 BCL2L1 (0.82) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540550 0.90 BCL2L1 (0.82) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540310 0.89 BCL2L1 (0.80) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1541210 0.89 BCL2L1 (0.79) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL13503599 0.89 BCL2L1 (0.81) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1541084 0.89 BCL2L1 (0.88) BCL2L1BCL2MDM4BCL2L11TP53

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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 — — US claimed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 — — US claimed
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 — — EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 — — US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 — — US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 — — 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 (2 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD BCL2L1 18/4885BCL2 2/4885MDM4 1648/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD BCL2L1 18/4885BCL2 2/4885MDM4 1648/4885

“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.