SCHEMBL3590845

SCHEMBL3590845

CN(C)C(=O)C[C@H](CSc1ccccc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
PLA2G10 O15496 3/20 0.45
PLA2G2A P14555 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL553506 1.00 MTNR1A (0.49) MTNR1AMTNR1BPLA2G10PLA2G2AMAOA
SCHEMBL13503951 0.87 MTNR1A (0.47) MTNR1AMTNR1BPLA2G10PLA2G2AMAOA
SCHEMBL2943420 0.86 MTNR1A (0.47) MTNR1AMTNR1BPLA2G10PLA2G2AMAOA
SCHEMBL2943414 0.86 MTNR1A (0.47) MTNR1AMTNR1BPLA2G10PLA2G2AMAOA
SCHEMBL13503680 0.84 MTNR1A (0.48) MTNR1AMTNR1BPLA2G10PLA2G2AMAOA
SCHEMBL24698678 0.83 ATM (0.46) MTNR1AMTNR1BPLA2G10ALDH1A1
SCHEMBL10058366 0.82 CASP1 (0.49)
SCHEMBL2950983 0.82 MTNR1A (0.51) MTNR1AMTNR1BPLA2G10PLA2G2AMAOA
SCHEMBL4901823 0.81 MTNR1A (0.50) MTNR1AMTNR1BPLA2G10PLA2G2AMAOA
SCHEMBL8064065 0.81 PLA2G10 (0.47) MTNR1AMTNR1BPLA2G10PLA2G2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MTNR1A 2992/4885MTNR1B 3135/4885PLA2G10 4423/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD MTNR1A 2992/4885MTNR1B 3135/4885PLA2G10 4423/4885

“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.