SCHEMBL2172956

SCHEMBL2172956

Cc1ccc(-c2cc(C(=O)O)cc(-c3cccc(F)c3F)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.45
P2RX3 P56373 1/20 0.45
P2RX2 Q9UBL9 1/20 0.45
DHODH Q02127 6/20 0.43
LDHA P00338 2/20 0.41
CTSA P10619 2/20 0.40
MET P08581 1/20 0.39
HPGDS O60760 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
PTGS2 P35354 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CTRC Q99895 1/20 0.38
MAOA P21397 1/20 0.38
BLVRB P30043 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3476171 0.90 DHODH (0.49) NR1I2P2RX3P2RX2DHODHLDHA
SCHEMBL2170986 0.87 NR1I2 (0.45) NR1I2P2RX3P2RX2DHODHCTSA
SCHEMBL3475350 0.85 NR1I2 (0.42) NR1I2P2RX3P2RX2DHODHLDHA
SCHEMBL2171711 0.85 CYP3A4 (0.46) NR1I2P2RX3P2RX2DHODHMET
SCHEMBL3057997 0.82 P2RX3 (0.63) NR1I2P2RX3P2RX2DHODHLDHA
SCHEMBL2171503 0.81 P2RX3 (0.43) NR1I2P2RX3P2RX2CTSAMET
SCHEMBL2171499 0.81 P2RX3 (0.61) NR1I2P2RX3P2RX2
SCHEMBL7947489 0.81 P2RX3 (0.50) NR1I2P2RX3P2RX2CTSA
SCHEMBL1495762 0.80 LDHA (0.50) P2RX3P2RX2DHODHLDHACYP3A4
SCHEMBL2187309 0.80 P2RX3 (0.56) NR1I2P2RX3P2RX2CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B NR1I2 400/4885P2RX3 207/4885P2RX2 240/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B NR1I2 461/4885P2RX3 219/4885P2RX2 259/4885

“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.