SCHEMBL325288

SCHEMBL325288

COc1ccc(Cn2c(SC)nc(=O)n(Cc3ccccc3)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 5/20 0.54
ADORA3 P0DMS8 1/20 0.51
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PROKR2 Q8NFJ6 1/20 0.49
RGS4 P49798 1/20 0.49
RGS8 P57771 1/20 0.49
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
P2RX4 Q99571 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL10254261 0.95 PROKR1 (0.53) PROKR1ALDH1A1PROKR2P2RX4MAPT
SCHEMBL326197 0.90 PROKR1 (0.60) PROKR1ALDH1A1PROKR2MAPT
SCHEMBL326653 0.89 PROKR1 (0.55) PROKR1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8280056 0.86 PROKR1 (0.57) PROKR1ADORA3CYP3A4CYP2C9CYP2C19
SCHEMBL326336 0.85 MAPT (0.49) PROKR1ALDH1A1PROKR2MAPTSMN1; SMN2
SCHEMBL10254322 0.81 PROKR1 (0.42) PROKR1ALDH1A1CYP3A4PROKR2RGS4
SCHEMBL325883 0.80 PROKR1 (0.47) PROKR1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10254173 0.80 MAPT (0.50) ALDH1A1RGS4RGS8LMNAMAPT
SCHEMBL325602 0.80 P2RX3 (0.49) PROKR1PROKR2
SCHEMBL10056259 0.78 P2RX3 (0.66) PROKR1PROKR2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585068-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-1866290-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-05-01 EP disclosed
EP-1866290-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-05-01 EP disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-20120245077-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R (US) 2012-09-27 US disclosed
US-20120245077-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R (US) 2012-09-27 US disclosed
US-20120245077-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R (US) 2012-09-27 US disclosed
US-8188081-B2 Methods of treating inflammation using prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-05-29 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
EP-1868609-A2 PROKINETICIN 1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-26 EP disclosed
EP-1866290-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2007-12-19 EP disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20060235018-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-19 US disclosed
WO-2006104715-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 WO disclosed
WO-2006102112-A2 PROKINETICIN 1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 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-20080045535-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR PROKR1 2/4885ADORA3 750/4885ALDH1A1 4503/4885
US-20060235018-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR PROKR1 1/4885ADORA3 655/4885ALDH1A1 3674/4885
US-20070021422-A1 Prokineticin 1 receptor PROKR1, PROKR2, GIPR PROKR1 1/4885ADORA3 456/4885ALDH1A1 3305/4885
US-20120245077-A1 PROKINETICIN 1 RECEPTOR PROKR1, PROKR2, GIPR PROKR1 1/4885ADORA3 456/4885ALDH1A1 3305/4885

“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.