SCHEMBL4548599

SCHEMBL4548599

BCC(=O)Nc1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.48
KLKB1 P03952 5/20 0.47
PLAU P00749 2/20 0.46
GAA P10253 1/20 0.46
PLG P00747 7/20 0.45
KLK1 P06870 6/20 0.45
KLK6 Q92876 6/20 0.45
POLB P06746 1/20 0.44
PLAT P00750 1/20 0.44
PRSS1 P07477 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL1189878 0.81 CA12 (0.59) GAAPOLB
SCHEMBL4548528 0.81 TPSAB1 (0.48) TPSAB1KLKB1PLAUGAAPLG
SCHEMBL28779123 0.79 POLB (0.63) TPSAB1KLKB1PLGKLK1KLK6
SCHEMBL13046514 0.78 POLB (0.74) TPSAB1POLB
SCHEMBL111906 0.78 PLG (0.53) TPSAB1KLKB1PLAUPLGKLK1
SCHEMBL8530522 0.78 PEPD (0.59) TPSAB1KLKB1PLAUGAAPLG
SCHEMBL12953853 0.77 MAPT (0.62) TPSAB1KLKB1PLGKLK1KLK6
SCHEMBL5348324 0.77 LOXL2 (0.51) TPSAB1KLKB1PLGKLK1KLK6
SCHEMBL12149116 0.76 ALDH1A1 (0.58) GAAPOLB
Hydrochloric Acid SCHEMBL7444704 0.76 PLG (0.54) TPSAB1KLKB1PLAUPLGKLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 US disclosed
US-7491744-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2009-02-17 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 (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-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity AANAT, FABP2, SI TPSAB1 66/4885KLKB1 4349/4885PLAU 2754/4885

“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.