SCHEMBL1495520

SCHEMBL1495520

Cc1ccc(-c2cc(S(=O)(=O)N3CCCC3)cc(C(=O)O)c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 2/20 0.51
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.45
IL1RN P18510 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL1495619 0.78 TSHR (0.55) PKMTSHRHSD17B10CYP3A4POLB
SCHEMBL1495516 0.78 NPC1 (0.47) ALDH1A1TDP1MEN1KMT2AMAPK1
SCHEMBL2760979 0.77 PKM (0.62) PKMCYP3A4POLBALDH1A1HTT
SCHEMBL1495823 0.77 KMT2A (0.44) PKMTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL1495821 0.77 KMT2A (0.44) PKMTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL12757545 0.76 ALDH1A1 (0.49) CYP3A4ALDH1A1HTTTDP1MEN1
SCHEMBL2760749 0.76 ALDH1A1 (0.53) ALDH1A1TDP1MAPTGAA
SCHEMBL12757544 0.75 L3MBTL1 (0.47) TSHRPOLBALDH1A1SMN1; SMN2MAPK1
SCHEMBL11167770 0.74 TSHR (0.54) TSHRHSD17B10CYP3A4POLBALDH1A1
SCHEMBL4717672 0.73 TSHR (0.72) PKMTSHRHSD17B10CYP3A4POLB

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
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US 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
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 PKM 1191/4885TSHR 2579/4885HSD17B10 1283/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B PKM 1191/4885TSHR 2579/4885HSD17B10 1283/4885

“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.