SCHEMBL18151982

SCHEMBL18151982

N#Cc1c(SN2CCOCC2)sc(C(=O)O)c1-c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.70
FNTA P49354 8/20 0.59
FNTB P49356 8/20 0.59
KMT2A Q03164 1/20 0.59
GRIA4 P48058 6/20 0.49
GRIA2 P42262 2/20 0.47
MTOR P42345 1/20 0.42

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
SCHEMBL16792031 0.86 FNTA (0.59) PIK3CAFNTAFNTBKMT2AGRIA4
SCHEMBL8006300 0.82 PIK3CA (1.00) PIK3CAFNTAFNTBKMT2AGRIA4
SCHEMBL16792125 0.78 GRIA4 (0.78) PIK3CAFNTAFNTBKMT2AGRIA4
SCHEMBL3134093 0.77 GRIA4 (0.65) PIK3CAFNTAFNTBKMT2AGRIA4
SCHEMBL16792035 0.76 PIK3CA (0.43) PIK3CAFNTAFNTBKMT2AGRIA4
SCHEMBL16792274 0.75 FNTA (1.00) FNTAFNTBKMT2AGRIA4
SCHEMBL10652875 0.75 GRIA4 (0.74) PIK3CAFNTAFNTBKMT2AGRIA4
SCHEMBL10238640 0.73 FNTA (0.65) PIK3CAFNTAFNTBKMT2AGRIA4
SCHEMBL3403807 0.73 PIK3CA (0.78) PIK3CAKMT2AGRIA4GRIA2MTOR
SCHEMBL7506651 0.73 FNTA (0.74) FNTAFNTBKMT2AGRIA4GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 US disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 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 (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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY PIK3CA 131/4885FNTA 4/4885FNTB 15/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY PIK3CA 202/4885FNTA 4/4885FNTB 10/4885

“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.