SCHEMBL1495620

SCHEMBL1495620

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.52
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
FABP1 P07148 1/20 0.47
P2RY14 Q15391 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOB P27338 2/20 0.45
KCNH2 Q12809 2/20 0.45
AOC3 Q16853 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.45
LOX P28300 1/20 0.45
CTRC Q99895 1/20 0.44
PTGS2 P35354 1/20 0.44
ALPL P05186 1/20 0.43
MCL1 Q07820 2/20 0.42
MAOA P21397 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL16418242 0.84 DHODH (0.50) DHODHRXRARXRBFABP1P2RY14
SCHEMBL1495629 0.83 TDP1 (0.50) SMN1; SMN2ALDH1A1MAOBKCNH2AOC3
SCHEMBL2760676 0.83 DHODH (0.49) DHODHRXRARXRBFABP1P2RY14
SCHEMBL16196117 0.82 DHODH (0.70) DHODHRXRARXRBFABP1P2RY14
SCHEMBL1495453 0.82 DHODH (0.70) DHODHRXRARXRBFABP1P2RY14
SCHEMBL2760677 0.81 DHODH (0.47) DHODHRXRARXRBFABP1P2RY14
SCHEMBL1495649 0.80 PTGS2 (0.48) SMN1; SMN2ALDH1A1KCNH2LOXL2CTRC
SCHEMBL16418299 0.80 DHODH (0.46) DHODHRXRARXRBFABP1P2RY14
SCHEMBL30525077 0.79 TPMT (0.61) RXRARXRBSMN1; SMN2ALDH1A1AKR1C3
SCHEMBL20790528 0.79 TPMT (0.61) RXRARXRBSMN1; SMN2ALDH1A1AKR1C3

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 21 patents — showing the first 20. 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
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP claimed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO claimed
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
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
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 DHODH 3626/4885RXRA 380/4885RXRB 103/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B DHODH 3626/4885RXRA 380/4885RXRB 103/4885

“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.