SCHEMBL5968978

SCHEMBL5968978

O=C(O)C(Cc1ccccc1)OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ SRR Q9GZT4 2/20 0.46
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ AR P10275 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CPA1 P15085 6/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5968972 1.00 KMT2A (0.46) KMT2AMEN1SRRCA1CA2
SCHEMBL9776653 0.89 KMT2A (0.45) KMT2AMEN1CA1CA2MMP1
SCHEMBL7955761 0.82 ALDH1A1 (0.48) KMT2AMEN1CA1CA2MMP1
SCHEMBL7955717 0.82 KMT2A (0.38) KMT2AMEN1CA1CA2MMP1
SCHEMBL7955716 0.82 ALDH1A1 (0.48) KMT2AMEN1CA1CA2MMP1
SCHEMBL28690909 0.81 KMT2A (0.47) KMT2AMEN1SRRCA2CPA1
SCHEMBL5968987 0.81 KMT2A (0.47) KMT2AMEN1SRRCA2CPA1
SCHEMBL7067318 0.78 AR (0.43) KMT2AMEN1CA1CA2MMP1
SCHEMBL7066151 0.77 KMT2A (0.40) KMT2AMEN1CA1CA2MMP1
SCHEMBL9776597 0.76 CYP1A2 (0.55) KMT2AMEN1CYP19A1ALDH1A1

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
US-6984627-B1 Peptide derivatives ASTRAZENECA AB (SE) 2006-01-10 — — US disclosed
US-20050222395-A1 New peptide derivatives ASTRAZENECA AB (SE) 2005-10-06 — — US disclosed
EP-0799052-B1 NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF ASTRAZENECA AB (SE) 2001-11-14 — — EP disclosed
EP-0701568-B1 NEW PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-25 — — EP disclosed
EP-1067136-A1 New peptide derivatives AstraZeneca AB (SE) 2001-01-10 — — EP disclosed
US-5939392-A THROMBIN INHIBITORS, ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS ASTRA AKTIEBOLAG (SE) 1999-08-17 — — US disclosed
US-5856307-A Peptide derivatives as kininogenase inhibitors ASTRA AKTIEBOLAG (SE) 1999-01-05 — — US disclosed
US-5795896-A Antithrombotic formulation, process for its manufacturing, and use thereof ASTRA AKTIEBOLAG (SE) 1998-08-18 — — US disclosed
US-5783563-A Method for treatment or prophylaxis of venous thrombosis ASTRA AKTIEBOLAG 1998-07-21 — — US disclosed
US-5780631-A ANTICOAGLUANT ASTRA AKTIEBOLAG (SE) 1998-07-14 — — US disclosed
US-5723444-A ENZYME INHIBITORS AND ANTICOAGULANTS ASTRA AB (SE) 1998-03-03 — — US disclosed
EP-0799052-A1 NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF Astra Aktiebolag (SE) 1997-10-08 — — EP disclosed
US-5602253-A STARTING MATERIAL FOR SERINE PROTEASE INHIBITORS AKTIEBOLAGET ASTRA (SE) 1997-02-11 — — US disclosed
WO-1996016671-A1 NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF ASTRA AKTIEBOLAG (SE) 1996-06-06 — — WO disclosed
WO-1994029336-A1 NEW PEPTIDE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1994-12-22 — — 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-20050222395-A1 New peptide derivatives SERPINE1, SERPINC1, SPINT2 KMT2A 4410/4885MEN1 1137/4885SRR 409/4885

“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.

Send feedback