SCHEMBL1472702

SCHEMBL1472702

[CH2]CCNS(=O)(=O)c1cnn(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
NLRP3 Q96P20 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NMT1 P30419 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP19A1 P11511 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
SLC8A1 P32418 1/20 0.34
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20260767 0.81 NLRP3 (0.45) GAANLRP3TDP1NMT1ALDH1A1
SCHEMBL1472224 0.72 POLB (0.49) NMT1ALDH1A1CYP19A1PIK3CDPIK3CA
SCHEMBL1472720 0.71 TSHR (0.47) GAANMT1ALDH1A1SMN1; SMN2
SCHEMBL12319222 0.70 GAA (0.42) GAANLRP3NMT1ALDH1A1MTOR
SCHEMBL1472111 0.70 NLRP3 (0.40) NLRP3ALDH1A1PIK3CDPIK3CBPIK3CG
SCHEMBL1472628 0.69 S1PR1 (0.36) NMT1SLC8A1
SCHEMBL1501094 0.69 GAA (0.41) GAANLRP3NMT1ALDH1A1MTOR
SCHEMBL3704272 0.69 NLRP3 (0.42) GAANLRP3TDP1NMT1ALDH1A1
SCHEMBL9202133 0.69 GAA (0.41) GAANLRP3NMT1ALDH1A1MTOR
Hydrochloric Acid SCHEMBL28323628 0.67 NLRP3 (0.41) GAANLRP3TDP1NMT1ALDH1A1

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 GAA 787/4885NLRP3 826/4885TDP1 3396/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 GAA 787/4885NLRP3 826/4885TDP1 3396/4885
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 GAA 787/4885NLRP3 826/4885TDP1 3396/4885

“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.