SCHEMBL19397155

SCHEMBL19397155

CCCO[P@@](C)(=O)N[C@@H](C)C(=O)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.35
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FBP1 P09467 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL25766831 0.87 TSHR (0.37) BTN3A1LMNACA12CA1CA2
SCHEMBL15682800 0.81 BTN3A1 (0.36) BTN3A1LMNAFBP1TSHR
SCHEMBL15682873 0.81 BTN3A1 (0.36) BTN3A1LMNAFBP1TSHR
SCHEMBL17525234 0.81 BTN3A1 (0.36) BTN3A1LMNAFBP1TSHR
SCHEMBL24211997 0.80 BTN3A1 (0.37) BTN3A1FBP1ALDH1A1
SCHEMBL18512735 0.78 BTN3A1 (0.33) BTN3A1CA12CA1CA2CA9
SCHEMBL19235581 0.77 BTN3A1 (0.38) BTN3A1LMNAFBP1TSHR
SCHEMBL18512898 0.75 BTN3A1 (0.37) BTN3A1CA12CA1CA2CA9
SCHEMBL20181441 0.73 BTN3A1 (0.36) BTN3A1LMNACA12CA1CA2
SCHEMBL17527838 0.73 BTN3A1 (0.56) BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275327-A1 SUBSTITUTED PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF MERCK SHARP & DOHME LLC 2017-09-28 US 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-20170275327-A1 SUBSTITUTED PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ADH1A, ADH1C, ADH5 BTN3A1 2751/4885LMNA 4632/4885CA12 2010/4885

“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.