SCHEMBL16609790

SCHEMBL16609790

COC(=O)c1ccc(C)c(-c2ccc(C[C@H](NC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)C(=O)Nc3ccc(-c4nn[nH]n4)cc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 8/20 0.59
▸ F11 P03951 7/20 0.59
▸ KLKB1 P03952 6/20 0.45
▸ ATM Q13315 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK14 Q16539 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PLAU P00749 1/20 0.40

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
SCHEMBL17983550 1.00 PLG (0.59) PLGF11KLKB1ATMKMT2A
SCHEMBL18062840 0.96 PLG (0.60) PLGF11KLKB1ATMKMT2A
SCHEMBL16607720 0.96 PLG (0.60) PLGF11KLKB1ATMKMT2A
SCHEMBL16609622 0.94 F11 (0.58) PLGF11KLKB1ATMKMT2A
SCHEMBL17983571 0.94 F11 (0.58) PLGF11KLKB1ATMKMT2A
SCHEMBL16609802 0.94 PLG (0.58) PLGF11KLKB1ATMKMT2A
SCHEMBL16607712 0.93 PLG (0.58) PLGF11KLKB1ATMKMT2A
SCHEMBL18090722 0.93 PLG (0.58) PLGF11KLKB1ATMKMT2A
SCHEMBL16607713 0.93 F11 (0.60) PLGF11KLKB1ATMKMT2A
SCHEMBL17982919 0.93 F11 (0.60) PLGF11KLKB1ATMKMT2A

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-20160237067-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 — — US disclosed
WO-2015044169-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — 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 (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-20160237067-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT PLG 75/4885F11 326/4885KLKB1 1253/4885

“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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