SCHEMBL3893770

SCHEMBL3893770

O=C(COP(=O)(c1ccccc1)c1ccccc1)COP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CFTR P13569 1/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ ELANE P08246 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL7304302 0.91 KMT2A (0.47) MEN1KMT2AUSP2ALDH1A1L3MBTL1
SCHEMBL7303095 0.89 KMT2A (0.46) MEN1KMT2AUSP2ALDH1A1L3MBTL1
SCHEMBL27510315 0.87 MEN1 (0.47) MEN1KMT2AUSP2ALDH1A1L3MBTL1
SCHEMBL7308253 0.87 ACP3 (0.47) MEN1KMT2AUSP2ALDH1A1POLB
SCHEMBL7308021 0.83 LMNA (0.48) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL28441070 0.81 POLB (0.59) MEN1KMT2AUSP2ALDH1A1L3MBTL1
SCHEMBL4378891 0.78 MEN1 (0.76) MEN1KMT2AUSP2ALDH1A1L3MBTL1
Hydrogen Peroxide SCHEMBL8527170 0.77 KMT2A (0.68) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL28434990 0.76 NPC1 (0.56) MEN1KMT2AL3MBTL1GAAMAPT
SCHEMBL28318108 0.75 MEN1 (0.66) MEN1KMT2AUSP2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644197-B1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors VERTEX PHARMA (US) 1998-09-09 — — EP claimed
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 — — EP disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 — — US disclosed
EP-1660464-A4 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2008-11-26 — — EP disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 — — US disclosed
EP-1660464-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG Life Sciences Ltd. (KR) 2006-05-31 — — EP disclosed
WO-2005021516-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD. (KR) 2005-03-10 — — WO disclosed
US-20020128434-A1 Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors ZIMMERMAN MARY P (US) 2002-09-12 — — US disclosed
US-6147188-A IRREVERSIBLE CATHEPSIN OR CALPAIN INHIBITORS PROTOTEK, INC. (US) 2000-11-14 — — US disclosed
US-5985863-A PHARMACEUTICAL COMPOSITIONS FOR DECREASING THE PRODUCTION OF INTERFERON-GAMMA INDUCING FACTOR (IGIF), AND INTERFERON-GAMMA (IFN-GAMMA) COMPRISING COMPOUND WHICH INHIBITS INTERLEUKIN-1.BETA. CONVERTING ENZYME (ICE) VERTEX PHARMACEUTICALS, INC. (US) 1999-11-16 — — US disclosed
EP-0863883-A4 — — 1998-09-16 — — EP disclosed
EP-0863883-A1 ALPHA-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC., (US) 1998-09-16 — — EP disclosed
WO-1998024814-A2 N-TERMINALLY MODIFIED POLYPEPTIDE ENZYME INHIBITORS, AND RELATED THERAPEUTIC METHODS AND PHARMACEUTICAL COMPOSITIONS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1998-06-11 — — WO disclosed
US-5714484-A α-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors PROTOTEK, INC. (US) 1998-02-03 — — US disclosed
WO-1996040647-A1 α-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC. (US) 1996-12-19 — — 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 (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-20020128434-A1 Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors CPN1, CTRL, SERPINB1 MEN1 2826/4885KMT2A 1897/4885USP2 264/4885
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 MEN1 4843/4885KMT2A 4075/4885USP2 566/4885

“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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