SCHEMBL1583553

SCHEMBL1583553

COC(=O)c1cc(C(=O)OC)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.52
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PIK3C3 Q8NEB9 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL475737 0.95 POLB (0.55) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL18767065 0.94 POLB (0.54) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5379341 0.93 TP53 (0.48) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5901042 0.92 TP53 (0.48) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL3898302 0.90 POLB (0.50) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5222204 0.90 TP53 (0.47) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5225022 0.90 TP53 (0.47) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL13229564 0.90 POLB (0.60) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5223342 0.88 POLB (0.50) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL6828696 0.87 TP53 (0.67) TP53POLBSMN1; SMN2MAPTALDH1A1

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
WO-2017066742-A1 BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE JORTAN PHARMACEUTICALS INC. (US) 2017-04-20 WO disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
EP-2486006-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-08-15 EP disclosed
WO-2011044057-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2011-04-14 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 (1 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-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP TP53 2245/4885POLB 1241/4885SMN1; SMN2 467/4885

“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.