SCHEMBL1277358

SCHEMBL1277358

O=C(NCc1cn(-c2ccc(N3CCS(=O)(=O)CC3)cc2)cn1)c1ccc(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.47
HPGD P15428 2/20 0.47
F2 P00734 1/20 0.41
MAPK8 P45983 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1277962 0.87 F10 (0.43) F10HPGDF2
SCHEMBL1708737 0.85 F10 (0.54) F10HPGDTSHRLMNAKDM4E
SCHEMBL3087908 0.84 HPGD (0.53) F10HPGDTSHRLMNAKDM4E
SCHEMBL1708736 0.83 HPGD (0.52) F10HPGDTSHRLMNAKDM4E
SCHEMBL3089664 0.83 HPGD (0.52) F10HPGDTSHRLMNAKDM4E
SCHEMBL1277595 0.82 F10 (0.48) F10
SCHEMBL4910157 0.82 F10 (0.61) F10HPGDF2
SCHEMBL8277767 0.81 HPGD (0.49) F10HPGDTSHRLMNAKDM4E
SCHEMBL1106605 0.81 HPGD (0.49) F10HPGDTSHRLMNAKDM4E
SCHEMBL1277583 0.80 HPGD (0.47) F10HPGDF2

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 11 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-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-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-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-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
EP-2016072-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-01-21 EP 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

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 F10 11/4885HPGD 377/4885F2 4/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 F10 11/4885HPGD 377/4885F2 4/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 11/4885HPGD 377/4885F2 4/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 11/4885HPGD 377/4885F2 4/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 11/4885HPGD 377/4885F2 4/4885

“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.