SCHEMBL19754064

SCHEMBL19754064

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(NC(=O)CCC(=O)O)nc3=O)[C@@H](C#N)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.33
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ P2RY2 P41231 1/20 0.31
▸ P2RY4 P51582 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31

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
SCHEMBL16229229 0.89 MAPT (0.31) ABL1RIN1
SCHEMBL19754075 0.86 CA1 (0.32) ROCK2
SCHEMBL19754061 0.80 LMNA (0.36) POLB
SCHEMBL9048607 0.80 P2RY2 (0.38) ROCK2P2RY2P2RY4P2RY6
SCHEMBL19981007 0.78 P2RY6 (0.34) ROCK2ABL1RIN1POLBP2RY2
SCHEMBL20459987 0.78 P2RY6 (0.34) ROCK2ABL1RIN1POLBP2RY2
SCHEMBL1937265 0.78 P2RY6 (0.34) ROCK2ABL1RIN1POLBP2RY2
SCHEMBL14946367 0.78 P2RY6 (0.34) ROCK2ABL1RIN1POLBP2RY2
SCHEMBL10459464 0.78 P2RY6 (0.34) ROCK2ABL1RIN1POLBP2RY2
SCHEMBL20215740 0.78 P2RY6 (0.34) ROCK2ABL1RIN1POLBP2RY2

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-20170368177-A1 NOVEL PEG DERIVATIVE DELTA-FLY PHARMA, INC. (JP) 2017-12-28 — — 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-20170368177-A1 NOVEL PEG DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNH, TPD52L2 ROCK2 699/4885ABL1 1583/4885RIN1 849/4885

“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.

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