SCHEMBL1495539

SCHEMBL1495539

Cc1ccc(-c2cc(C(=O)O)cc(C(=O)NCc3cnc(C)nc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.54
AKR1C4 P17516 7/20 0.54
AKR1C2 P52895 7/20 0.54
AKR1C1 Q04828 2/20 0.54
HDAC1 Q13547 2/20 0.51
P2RX3 P56373 2/20 0.49
P2RX2 Q9UBL9 2/20 0.49
DHODH Q02127 1/20 0.45
KMT2A Q03164 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
SCHEMBL1495662 0.95 AKR1C3 (0.55) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL1495633 0.88 AKR1C3 (0.55) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL2383698 0.87 AKR1C3 (0.53) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL7946501 0.87 HDAC1 (0.53) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL1495365 0.86 AKR1C3 (0.49) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL2173876 0.86 P2RX3 (0.50) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL12757604 0.85 AKR1C3 (0.47) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL2170971 0.85 P2RX3 (0.67) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL12757591 0.84 AKR1C3 (0.56) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL1495717 0.84 AKR1C3 (0.50) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP 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-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
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
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
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 AKR1C3 973/4885AKR1C4 1109/4885AKR1C2 1626/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B AKR1C3 973/4885AKR1C4 1109/4885AKR1C2 1626/4885

“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.