SCHEMBL1495500

SCHEMBL1495500

CC(N)c1ccc(Cl)c(S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
TRPV4 Q9HBA0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1495554 0.82 CYP3A4 (0.42) TRPV4L3MBTL1CYP3A4CYP2D6SLC6A2
SCHEMBL2869419 0.80 L3MBTL1 (0.43) ADRB2L3MBTL1P2RX3P2RX2LMNA
SCHEMBL21215066 0.78 AKR1C3 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10184964 0.75 L3MBTL1 (0.59) L3MBTL1CYP3A4CA1CA2LMNA
SCHEMBL31623389 0.75 L3MBTL1 (0.59) L3MBTL1CYP3A4CA1CA2LMNA
SCHEMBL5676864 0.75 ADRB3 (0.41) ADRB2L3MBTL1
SCHEMBL3712990 0.75 ADRB3 (0.41) ADRB2L3MBTL1
SCHEMBL16438084 0.74 PDE2A (0.42) TRPV4CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5862322 0.74 ADRB2 (0.56) ADRB2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL61975 0.74 ADRB2 (0.56) ADRB2CYP3A4SLC6A2SLC6A4SLC6A3

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
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
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 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
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 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
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 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 (3 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 ADRB2 225/4885TRPV4 3855/4885L3MBTL1 164/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 ADRB2 347/4885TRPV4 2831/4885L3MBTL1 1344/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B ADRB2 225/4885TRPV4 3855/4885L3MBTL1 164/4885

“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.