SCHEMBL1495701

SCHEMBL1495701

Cc1ccc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)cc(S(C)(=O)=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
AKR1C3 P42330 11/20 0.51
EPHX2 P34913 3/20 0.50
AKR1C4 P17516 7/20 0.48
AKR1C2 P52895 6/20 0.48
AKR1C1 Q04828 2/20 0.48
HDAC1 Q13547 1/20 0.45
ITK Q08881 1/20 0.44
MAP4K4 O95819 1/20 0.43
PIK3CA P42336 1/20 0.43
KCNH2 Q12809 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL12757607 0.90 NR1I2 (0.50) PTGS2AKR1C3EPHX2ITKNR1H4
SCHEMBL12757505 0.89 AKR1C3 (0.49) PTGS2AKR1C3EPHX2AKR1C4AKR1C2
SCHEMBL12757537 0.89 AKR1C3 (0.48) AKR1C3EPHX2AKR1C4AKR1C2AKR1C1
SCHEMBL1495489 0.88 AKR1C3 (0.51) AKR1C3EPHX2AKR1C4AKR1C2AKR1C1
SCHEMBL1495717 0.86 AKR1C3 (0.50) AKR1C3EPHX2AKR1C4AKR1C2AKR1C1
SCHEMBL12831352 0.84 AKR1C3 (0.48) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL12757586 0.84 EPHX2 (0.50) AKR1C3EPHX2AKR1C4AKR1C2AKR1C1
SCHEMBL27981587 0.83 AKR1C3 (0.48) AKR1C3AKR1C4AKR1C2AKR1C1HDAC1
SCHEMBL12757568 0.82 AKR1C3 (0.48) AKR1C3EPHX2AKR1C4AKR1C2AKR1C1
SCHEMBL12831013 0.82 AKR1C3 (0.47) AKR1C3EPHX2AKR1C4AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016907-B Amide compound, compositions and application thereof EVOTEC GMBH (DE) 2016-11-30 CN disclosed
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
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
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 PTGS2 983/4885AKR1C3 973/4885EPHX2 1911/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B PTGS2 983/4885AKR1C3 973/4885EPHX2 1911/4885

“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.