SCHEMBL4497612

SCHEMBL4497612

CCOC(=O)C(=O)N(C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
MVD P53602 1/20 0.39
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL26665546 0.80 ALDH1A1 (0.42) EGLN1CA12CA1CA2CA9
SCHEMBL8648874 0.78 CA12 (0.44) EGLN1CA12CA1CA2CA9
SCHEMBL12521172 0.78 EGLN1 (0.40) EGLN1ALDH1A1TSHRMVDLMNA
SCHEMBL4496911 0.76 CA12 (0.43) EGLN1CA12CA1CA2CA9
SCHEMBL2114681 0.75 ALDH1A1 (0.46) EGLN1CA12CA1CA2CA9
SCHEMBL1330762 0.75 ALDH1A1 (0.46) EGLN1CA12CA1CA2CA9
SCHEMBL1331806 0.75 ALDH1A1 (0.46) EGLN1CA12CA1CA2CA9
SCHEMBL51874 0.73 CYP2C9 (0.37) EGLN1CA12CA1CA2CA9
SCHEMBL15780800 0.73 CYP2C9 (0.41) EGLN1CA12CA1CA2CA9
SCHEMBL15821786 0.72 CYP2C9 (0.36) EGLN1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619086-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-11-17 US disclosed
US-20080139579-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-06-12 US disclosed
EP-1725535-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005086700-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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-20080139579-A1 Hiv Integrase Inhibitors INTS9, CDK9, PRDM9 EGLN1 3773/4885CA12 4863/4885CA1 4822/4885

“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.