SCHEMBL20129628

SCHEMBL20129628

Nc1nc(=O)n([C@@H]2O[C@H](CO)C(O)C2O)cc1C#CCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGF1 P05230 1/20 0.51
FGF2 P09038 1/20 0.51
VEGFA P15692 1/20 0.51
HPSE Q9Y251 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
HINT1 P49773 1/20 0.47
PLCD1 P51178 1/20 0.43
HLCS P50747 2/20 0.42
CAPN1 P07384 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
RNF168 Q8IYW5 1/20 0.41
CNR1 P21554 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41

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
SCHEMBL20129498 1.00 FGF1 (0.51) FGF1FGF2VEGFAHPSETDP1
SCHEMBL19647035 0.88 TDP1 (0.46) FGF1FGF2VEGFAHPSETDP1
SCHEMBL19647020 0.86 PLCD1 (0.53) FGF1FGF2VEGFAHPSETDP1
SCHEMBL12937940 0.81 FOLH1 (0.50) FGF1FGF2VEGFAHPSETDP1
SCHEMBL12253297 0.81 FOLH1 (0.50) FGF1FGF2VEGFAHPSETDP1
SCHEMBL12937921 0.81 FOLH1 (0.50) FGF1FGF2VEGFAHPSETDP1
SCHEMBL12230448 0.81 FOLH1 (0.50) FGF1FGF2VEGFAHPSETDP1
SCHEMBL20130787 0.81 PLCD1 (0.48) FGF1FGF2VEGFAHPSETDP1
SCHEMBL13844235 0.79 FGF1 (0.46) FGF1FGF2VEGFAHPSETDP1
SCHEMBL20130786 0.78 PLCD1 (0.44) FGF1FGF2VEGFAHPSETDP1

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-20180127822-A1 MODIFIED NUCLEOTIDES METHODS AND KITS PIERCE BIOTECHNOLOGY, INC. (US) 2018-05-10 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-20180127822-A1 MODIFIED NUCLEOTIDES METHODS AND KITS RNGTT, NUDT1, ADAR FGF1 4878/4885FGF2 4862/4885VEGFA 3706/4885

“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.