SCHEMBL1472628

SCHEMBL1472628

[CH2]CCNS(=O)(=O)c1cnc(C)n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CDK2 P24941 3/20 0.35
CDK4 P11802 1/20 0.35
SLC8A1 P32418 1/20 0.34
MBTD1 Q05BQ5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM5 P08912 1/20 0.31
PKM P14618 1/20 0.31
NMT1 P30419 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
SCHEMBL4970649 0.76 S1PR1 (0.37) S1PR1CA12CA1CA2CA9
SCHEMBL13380333 0.70 CHRM5 (0.36) S1PR1CA12CA1CA2CA9
SCHEMBL1472702 0.69 GAA (0.43) SLC8A1NMT1
SCHEMBL1772353 0.69 CHRM5 (0.36) S1PR1CA1CA2CA9CDK2
SCHEMBL15039540 0.69 CDK2 (0.39) S1PR1CA12CA1CA2CA9
SCHEMBL2908944 0.69 CHRM5 (0.36) S1PR1CA1CA2CA9CDK2
Hydrochloric Acid SCHEMBL27709943 0.67 CHRM5 (0.35) S1PR1CA1CA2CA9CDK2
SCHEMBL1472111 0.67 NLRP3 (0.40) MBTD1L3MBTL1
SCHEMBL1472224 0.66 POLB (0.49) S1PR1NMT1
SCHEMBL1472720 0.65 TSHR (0.47) L3MBTL1NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US claimed
US-8193191-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 US claimed
EP-1993554-B1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E 2011-06-09 US claimed
US-7915260-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-29 US claimed
EP-1993554-A2 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-11-26 EP claimed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US claimed
WO-2007081995-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO claimed
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US disclosed
US-8193191-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 US disclosed
EP-1993554-B1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP disclosed
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E 2011-06-09 US disclosed
US-7915260-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-29 US disclosed
EP-1993554-A2 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-11-26 EP disclosed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
WO-2007081995-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 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-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 S1PR1 244/4885CA12 3180/4885CA1 3754/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 S1PR1 244/4885CA12 3180/4885CA1 3754/4885
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 S1PR1 244/4885CA12 3180/4885CA1 3754/4885

“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.