SCHEMBL3544323

SCHEMBL3544323

Cc1oc(C#N)cc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.33
SMYD2 Q9NRG4 2/20 0.32
CYP2A6 P11509 1/20 0.31
EGLN2 Q96KS0 2/20 0.31
EGLN1 Q9GZT9 2/20 0.31
NPC1 O15118 1/20 0.30
LRRK2 Q5S007 1/20 0.30
PARP1 P09874 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL3534936 0.78 PTGER4 (0.54) PTGER4NPC1
SCHEMBL3536412 0.78 PTGER4 (0.33) PTGER4SMYD2CYP2A6NPC1PARP1
SCHEMBL3531250 0.73 GAA (0.35) SMYD2NPC1
SCHEMBL3090308 0.72 SMYD2 (0.33) SMYD2
SCHEMBL6132650 0.71 KDM5A (0.36) SMYD2
SCHEMBL30516569 0.71 KDM5A (0.36) SMYD2
SCHEMBL4147048 0.71 SMYD2 (0.32) SMYD2
SCHEMBL11934183 0.70 SMYD2 (0.35) SMYD2
SCHEMBL30688992 0.70 SMYD2 (0.36) SMYD2NPC1
SCHEMBL1586886 0.69 SMYD2 (0.33) SMYD2

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-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 WO 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 (4 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 PTGER4 1/4885SMYD2 3956/4885CYP2A6 553/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 PTGER4 1/4885SMYD2 3269/4885CYP2A6 282/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 PTGER4 1/4885SMYD2 3834/4885CYP2A6 547/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 PTGER4 1/4885SMYD2 3997/4885CYP2A6 548/4885

“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.