SCHEMBL2171763

SCHEMBL2171763

Cc1ccc(-c2cc(C(=O)O)cc(-c3cnccc3C#N)c2)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.46
SLC22A12 Q96S37 4/20 0.41
CYP11B2 P19099 2/20 0.41
GRM2 Q14416 1/20 0.40
ABL1 P00519 1/20 0.39
ELANE P08246 2/20 0.39

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
SCHEMBL1495528 0.85 GRM2 (0.45) XDHGRM2
SCHEMBL2171775 0.81 P2RX3 (0.43) XDH
SCHEMBL2171780 0.81 CYP11B2 (0.38) XDHSLC22A12CYP11B2GRM2ABL1
SCHEMBL3474932 0.81 XDH (0.40) XDHGRM2
SCHEMBL1495652 0.77 XDH (0.42) XDHGRM2
SCHEMBL1495671 0.77 TDP1 (0.41) XDHGRM2
SCHEMBL16195384 0.76 DHODH (0.52) XDH
SCHEMBL16418294 0.76 GRM2 (0.39) XDHCYP11B2GRM2
SCHEMBL16195427 0.75 GRM2 (0.39) XDHGRM2
SCHEMBL2383724 0.75 GRM2 (0.44) XDHGRM2

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 11 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

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 XDH 375/4885SLC22A12 3294/4885CYP11B2 436/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B XDH 515/4885SLC22A12 3620/4885CYP11B2 529/4885

“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.