SCHEMBL674283

SCHEMBL674283

Cn1nccc1-c1nc(C(=O)O)co1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.42
HDAC1 Q13547 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
ALDH1A1 P00352 2/20 0.40
PDE4D Q08499 1/20 0.37
COMT P21964 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
APOBEC3A P31941 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL676630 0.80 CYP1A2 (0.44) PDE4BHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL31704800 0.72 KDM4E (0.48) PDE4BHDAC8ALDH1A1PDE4DCOMT
SCHEMBL17130043 0.72 COMT (0.37) HDAC8ALDH1A1COMTKDM4EPOLB
SCHEMBL16834639 0.72 KDM4E (0.48) PDE4BHDAC8ALDH1A1PDE4DCOMT
SCHEMBL31706246 0.71 CHEK1 (0.39) HDAC8ALDH1A1COMTKDM4EPOLB
SCHEMBL21069616 0.71 CCNC (0.45) PDE4BHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL676174 0.71 ALDH1A1 (0.51) ALDH1A1KDM4E
SCHEMBL3436257 0.70 ALDH1A1 (0.56) PDE4BHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1815535 0.70 ALDH1A1 (0.51) ALDH1A1COMTKDM4EPOLBGAA
SCHEMBL287420 0.69 ALDH1A1 (0.74) PDE4BHDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
EP-2303852-A2 INHIBITORS OF AKT ACTIVITY GlaxoSmithKline LLC (US) 2011-04-06 EP disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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 (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-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA PDE4B 3289/4885HDAC1 766/4885HDAC8 990/4885

“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.