SCHEMBL12450732

SCHEMBL12450732

O=CC[C@@H](C=O)NC(=O)C1CCCN1C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.71
F10 P00742 1/20 0.71
PLG P00747 1/20 0.71
PRSS1 P07477 1/20 0.71
AKR1C3 P42330 7/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
CTSB P07858 1/20 0.51
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL949942 0.90 F2 (0.70) F2F10PLGPRSS1AKR1C3
SCHEMBL949943 0.90 F2 (0.70) F2F10PLGPRSS1AKR1C3
SCHEMBL8764289 0.90 F2 (0.70) F2F10PLGPRSS1AKR1C3
SCHEMBL8764295 0.90 F2 (0.70) F2F10PLGPRSS1AKR1C3
Hydrochloric Acid SCHEMBL7297380 0.82 PLG (0.75) F2F10PLGPRSS1AKR1C3
SCHEMBL24235367 0.78 AKR1C3 (0.61) F2F10PLGPRSS1AKR1C3
SCHEMBL13201971 0.77 AKR1C3 (0.63) F2F10PLGPRSS1AKR1C3
SCHEMBL30310614 0.77 AKR1C3 (0.60) F2F10PLGPRSS1AKR1C3
SCHEMBL28706884 0.77 ITGB3 (0.57) F2F10PLGPRSS1AKR1C3
SCHEMBL28706887 0.77 ITGB3 (0.57) F2F10PLGPRSS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 F2 1406/4885F10 1189/4885PLG 360/4885

“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.