SCHEMBL1699007

SCHEMBL1699007

Cc1nc(C=O)cn1-c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL16044269 0.83 PTGS2 (0.59) PTGS2ALDH1A1
SCHEMBL2175491 0.83 PTGS2 (0.43) PTGS2ALDH1A1
SCHEMBL27749291 0.74 ALDH1A1 (0.43) PTGS2ALDH1A1FAAHMGLL
SCHEMBL13181161 0.70 PTGS2 (0.40) PTGS2
SCHEMBL1698943 0.70 PTGS2 (0.42) PTGS2ALDH1A1P2RX7
SCHEMBL20929479 0.69 ALDH1A1 (0.56) PTGS2ALDH1A1
SCHEMBL27749292 0.67
SCHEMBL871832 0.66
SCHEMBL5418012 0.66 PTGS2 (0.57) PTGS2ALDH1A1
SCHEMBL26085078 0.65 PTGS2 (0.31) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
WO-2007131179-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 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 (5 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885ALDH1A1 911/4885FAAH 384/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885ALDH1A1 911/4885FAAH 384/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885ALDH1A1 911/4885FAAH 384/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885ALDH1A1 911/4885FAAH 384/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885ALDH1A1 911/4885FAAH 384/4885

“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.