SCHEMBL16604375

SCHEMBL16604375

COc1cnccc1-c1ccc(C[C@H](NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 5/20 0.56
▸ PLG P00747 6/20 0.56
▸ KMT2A Q03164 3/20 0.43
▸ ATM Q13315 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KLKB1 P03952 4/20 0.40
▸ PLAU P00749 1/20 0.39
▸ MME P08473 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL16604401 0.92 F11 (0.56) F11PLGKMT2AATMMEN1
SCHEMBL16604359 0.92 PLG (0.58) F11PLGKMT2AATMMEN1
SCHEMBL16604355 0.91 F11 (0.56) F11PLGKMT2AATMMEN1
SCHEMBL16604396 0.91 F11 (0.61) F11PLGKMT2AATMMEN1
SCHEMBL18090722 0.89 PLG (0.58) F11PLGKMT2AATMMEN1
SCHEMBL16607730 0.89 F11 (0.57) F11PLGKMT2AATMMEN1
SCHEMBL16607712 0.89 PLG (0.58) F11PLGKMT2AATMMEN1
SCHEMBL18062667 0.89 F11 (0.57) F11PLGKMT2AATMMEN1
SCHEMBL16604517 0.88 F11 (0.72) F11PLGKLKB1PLAUPRSS1
SCHEMBL16609331 0.88 PLG (0.57) F11PLGKMT2AATMMEN1

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-20160280699-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 — — US disclosed
WO-2015044172-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-20160280699-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT F11 326/4885PLG 75/4885KMT2A 1451/4885

“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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