SCHEMBL3476557

SCHEMBL3476557

Cc1ccc(-c2cc(C(=O)O)cc(N3CCOCC3=O)c2)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PTGS2 P35354 1/20 0.36
F10 P00742 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
XDH P47989 1/20 0.34
CYP11B2 P19099 1/20 0.34
KCNQ2 O43526 1/20 0.33
GRM2 Q14416 1/20 0.33
KMO O15229 1/20 0.33
HTR1A P08908 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3475717 0.83 L3MBTL1 (0.38) CA12CA1CA9XDHGRM2
SCHEMBL3476375 0.82 CA12 (0.34) CA12CA1CA9XDHGRM2
SCHEMBL2183989 0.82 P2RX3 (0.46) PIK3CDF10
SCHEMBL2170783 0.78 P2RX3 (0.42) PTGS2CYP11B2
SCHEMBL1495528 0.77 GRM2 (0.45) XDHGRM2ALDH1A1
SCHEMBL1495477 0.73 HPGD (0.45) CYP11B2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL1495671 0.69 TDP1 (0.41) XDHGRM2KDM4EALDH1A1
SCHEMBL1495652 0.69 XDH (0.42) XDHGRM2
SCHEMBL13229812 0.69 F10 (0.43) PTGS2F10KDM4EALDH1A1
SCHEMBL2760811 0.69 MAPT (0.47) KDM4EMEN1ALDH1A1KMT2AL3MBTL1

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 3 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-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US 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 (1 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-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B PIK3CD 4349/4885PTGS2 983/4885F10 248/4885

“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.