SCHEMBL1495417

SCHEMBL1495417

Cc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(S(C)(=O)=O)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 15/20 0.60
P2RX2 Q9UBL9 15/20 0.60
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGDS O60760 1/20 0.41

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
SCHEMBL1495617 0.90 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL2171270 0.89 P2RX3 (0.71) P2RX3P2RX2HPGDS
SCHEMBL1495717 0.88 AKR1C3 (0.50) P2RX3P2RX2ALDH1A1GAAHSD17B10
SCHEMBL12757607 0.86 NR1I2 (0.50) P2RX3P2RX2
SCHEMBL2170971 0.85 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL12757721 0.82 NAMPT (0.54) P2RX3P2RX2
SCHEMBL12757748 0.81 EPHX2 (0.48) P2RX3P2RX2
SCHEMBL12757592 0.81 P2RX3 (0.60) P2RX3P2RX2
SCHEMBL12757691 0.81 P2RX3 (0.60) P2RX3P2RX2HPGDS
SCHEMBL12757542 0.81 WDR5 (0.42) P2RX3P2RX2ALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US claimed
CN-104058999-A Amide Compounds, Compositions And Uses Thereof RENOVIS INC 2014-09-24 CN claimed
CN-101981003-B Amide compounds, compositions and uses thereof RENOVIS INC 2014-07-02 CN claimed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US claimed
CN-101981003-A Amide compounds, compositions and uses thereof RENOVIS INC 2011-02-23 CN claimed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
CN-104058999-A Amide Compounds, Compositions And Uses Thereof RENOVIS INC 2014-09-24 CN disclosed
CN-104016907-A Amide compounds, compositions and uses thereof RENOVIS INC 2014-09-03 CN disclosed
CN-101981003-B Amide compounds, compositions and uses thereof RENOVIS INC 2014-07-02 CN disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
CN-101981003-A Amide compounds, compositions and uses thereof RENOVIS INC 2011-02-23 CN disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 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 (2 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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885ALDH1A1 1016/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885ALDH1A1 1016/4885

“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.