SCHEMBL8657490

SCHEMBL8657490

CCCNC(CC)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
POLB P06746 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.37
BIRC2 Q13490 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
CA12 O43570 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL19487923 0.88 CA1 (0.50) CA1CA2ZDHHC7CA12ACHE
SCHEMBL14420244 0.85 CA1 (0.38) CA1CA2POLBZDHHC7BIRC2
SCHEMBL28722621 0.84 ZDHHC7 (0.49) CA1CA2ZDHHC7CA12CA9
SCHEMBL10296136 0.82 CA1 (0.42) CA1CA2POLBZDHHC7BIRC2
SCHEMBL7921333 0.82 CA1 (0.42) CA1CA2POLBZDHHC7BIRC2
SCHEMBL28216933 0.82 CA1 (0.40) CA1CA2POLBZDHHC7BIRC2
Hydrochloric Acid SCHEMBL28210945 0.80 CA1 (0.39) CA1CA2POLBZDHHC7BIRC2
Hydrochloric Acid SCHEMBL30670634 0.80 TAS1R3 (0.46) POLBBIRC2SMN1; SMN2TAS1R3TAS1R1
Hydrogen Sulfide SCHEMBL28218746 0.80 CA1 (0.39) CA1CA2POLBZDHHC7BIRC2
SCHEMBL8501849 0.79 TSHR (0.48) CA1CA2CA12CA9TSHR

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-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-5756508-A Muscarine antagonists MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997016192-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1997-05-09 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-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP CA1 4501/4885CA2 3997/4885POLB 64/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC CA1 4117/4885CA2 2638/4885POLB 865/4885

“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.