SCHEMBL10202005

SCHEMBL10202005

COc1cc(C(C)=O)nc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.79
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
P2RY12 Q9H244 8/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
SLC2A1 P11166 1/20 0.49
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL297225 0.89 ALOX15 (1.00) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL31389251 0.86 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL13075989 0.86 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL27467736 0.86 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL2072605 0.86 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL4409321 0.86 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL6387003 0.86 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL12256861 0.85 ALOX15 (0.77) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL8569893 0.83 ALOX15 (0.73) ALOX15LMNAHPGDSMN1; SMN2P2RY12
SCHEMBL13035843 0.83 ALOX15 (0.73) ALOX15LMNAHPGDSMN1; SMN2P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ALOX15 917/4885LMNA 485/4885HPGD 1148/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ALOX15 917/4885LMNA 485/4885HPGD 1148/4885

“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.