SCHEMBL6013489

SCHEMBL6013489

CN([C@@H](Cc1ccccc1)C(=O)O)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 6/20 0.51
▸ ADAMTS5 Q9UNA0 1/20 0.48
▸ ALPL P05186 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NR4A2 P43354 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MMP9 P14780 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
SCHEMBL6013488 1.00 CPA1 (0.51) CPA1ADAMTS5ALPLPOLBALPG
SCHEMBL598437 0.83 CPA1 (0.54) CPA1ADAMTS5CYP1A2ALPIPKM
SCHEMBL598436 0.83 CPA1 (0.54) CPA1ADAMTS5CYP1A2ALPIPKM
SCHEMBL16735767 0.81 CPA1 (0.49) CPA1ADAMTS5ALPLPOLBALPG
SCHEMBL756362 0.79 MAPT (0.61) CPA1ADAMTS5POLBCYP1A2ALDH1A1
SCHEMBL121727 0.79 MAPT (0.61) CPA1ADAMTS5POLBCYP1A2ALDH1A1
SCHEMBL121728 0.79 MAPT (0.61) CPA1ADAMTS5POLBCYP1A2ALDH1A1
SCHEMBL27765113 0.78 ADRA2B (0.53) CPA1CYP1A2PKMHPGD
Hydrochloric Acid SCHEMBL6475636 0.78 ALDH1A1 (0.64) CPA1ADAMTS5CYP1A2ALDH1A1MAPT
SCHEMBL8337022 0.78 CYP1A2 (0.53) CPA1ADAMTS5POLBCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545498-A4 BACKBONE-SUBSTITUTED BIFUNCTIONAL DOTA LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME US GOV HEALTH & HUMAN SERV (US) 2006-09-06 — — EP disclosed
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 — — US disclosed
EP-1545498-A2 BACKBONE-SUBSTITUTED BIFUNCTIONAL DOTA LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-06-29 — — EP disclosed
WO-2004021996-A2 BACKBONE-SUBSTITUTED BIFUNCTIONAL DOTA LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2004-03-18 — — WO disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 — — US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 — — EP disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 — — US disclosed
CN-1167486-A 2- (pyrazol-3-yl) carbapenem derivatives SMITHKLINE BEECHAM PLC (GB) 1997-12-10 — — CN disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 — — US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 — — US disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 — — EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 — — 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-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 CPA1 88/4885ADAMTS5 4003/4885ALPL 2010/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 CPA1 129/4885ADAMTS5 4176/4885ALPL 2280/4885

“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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