SCHEMBL6343752

SCHEMBL6343752

COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(CC(=O)O)cc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ CASP3 P42574 2/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ PTPN1 P18031 2/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL12555211 0.92 KMT2A (0.47) KMT2AMEN1CASP3MDM2FABP5
SCHEMBL29470540 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2PTPN1
SCHEMBL1000962 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2PTPN1
SCHEMBL3367289 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2PTPN1
SCHEMBL31146900 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2PTPN1
SCHEMBL1745934 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2PTPN1
SCHEMBL29368397 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2PTPN1
SCHEMBL8410923 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2FABP5
SCHEMBL17192730 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2FABP5
SCHEMBL4395836 0.89 KMT2A (0.45) KMT2AMEN1CASP3MDM2FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 — — US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 — — US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 — — EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 — — 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 KMT2A 2897/4885MEN1 3220/4885CASP3 948/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KMT2A 3308/4885MEN1 1959/4885CASP3 1123/4885

“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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