SCHEMBL3538675

SCHEMBL3538675

Cc1oc(C#N)cc1CO

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
PTGER4 P35408 1/20 0.32
ALOX5 P09917 1/20 0.32
APEX1 P27695 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
SCHEMBL11248202 0.78 ALOX5 (0.31) ALOX5
SCHEMBL3100001 0.72
SCHEMBL3107033 0.68
SCHEMBL15307459 0.68
SCHEMBL14539462 0.68
SCHEMBL19436626 0.68
SCHEMBL9540586 0.65
SCHEMBL3110283 0.65 L3MBTL1 (0.47)
SCHEMBL15211612 0.64 LMNA (0.33) APEX1
SCHEMBL9483022 0.64 ALDH1A1 (0.42) CYP2A6PTGER4ALOX5APEX1

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 28 patents — showing the first 20. 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-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-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-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-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-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
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
CN-1761657-A EP4 receptor antagonists PHARMAGENE LAB LTD (GB) 2006-04-19 CN 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 (3 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 CYP2A6 553/4885PTGER4 1/4885ALOX5 292/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 CYP2A6 282/4885PTGER4 1/4885ALOX5 294/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 CYP2A6 547/4885PTGER4 1/4885ALOX5 272/4885

“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.