Sugi Predict

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Zinc Ion

Zinc Ion

SCHEMBL9954299

CC(C)(Cc1cccnc1)C(=O)[O-].CC(C)(Cc1cccnc1)C(=O)[O-].[Zn+2]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 5/20 0.50
▸ BTN3A1 O00481 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ RIPK1 Q13546 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ RECQL P46063 1/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL27457037 0.83 CYP1A2 (0.54) FDPSBTN3A1PDE3ARIPK1NAPRT
SCHEMBL7861665 0.83 FDPS (0.59) FDPSBTN3A1PDE3ARIPK1NAPRT
SCHEMBL28245984 0.82 FDPS (0.57) FDPSBTN3A1PDE3ARIPK1NAPRT
Hydrochloric Acid SCHEMBL8504424 0.82 FDPS (0.57) FDPSBTN3A1PDE3ARIPK1NAPRT
SCHEMBL29725514 0.79 CYP1A2 (0.50) FDPSBTN3A1PDE3ARIPK1NAPRT
Lithium Ion SCHEMBL8630645 0.79 FDPS (0.55) FDPSBTN3A1PDE3ANAPRTCYP1A2
SCHEMBL29790231 0.77 RIPK1 (0.50) FDPSBTN3A1PDE3ARIPK1NAPRT
SCHEMBL8505453 0.77 FDPS (0.52) FDPSBTN3A1PDE3ARIPK1NAPRT
SCHEMBL9668489 0.77 RIPK1 (0.50) FDPSBTN3A1PDE3ARIPK1NAPRT
SCHEMBL3726238 0.76 CYP3A4 (0.47) FDPSBTN3A1PDE3ARIPK1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790809-B Preparation method of abiraterone acetate 奥锐特药业股份有限公司 2021-04-02 — — CN disclosed
US-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 — — US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 — — US disclosed
EP-2655382-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME Ludwig-Maximilians-Universität München (DE) 2013-10-30 — — EP disclosed
WO-2012085168-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2012-06-28 — — 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-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME ODC1, AOC1, ADH1C FDPS 2714/4885BTN3A1 1639/4885PDE3A 4032/4885

“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.