SCHEMBL3254077

SCHEMBL3254077

CC(NC(=O)O)[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
Benzene SCHEMBL1695059 0.95 NPC1 (0.36) CYP2D6CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL467913 0.72 NPSR1 (0.32) CYP2D6CYP2C19ALDH1A1
SCHEMBL27987977 0.70
SCHEMBL28719441 0.69 CYP2D6 (0.41) CYP2D6CYP2C19TP53ALDH1A1GAA
SCHEMBL7525656 0.69 CYP2D6 (0.41) CYP2D6CYP2C19TP53ALDH1A1GAA
SCHEMBL42490 0.69
Ammonia Solution, Strong SCHEMBL29172696 0.67
Hydrochloric Acid SCHEMBL10822622 0.67
SCHEMBL15567040 0.67
Bromide SCHEMBL11752199 0.67

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 US claimed
EP-2885300-A1 TRIS(HETERO)ARYLPYRAZOLES AND USE THEREOF AiCuris GmbH & Co. KG (DE) 2015-06-24 EP disclosed
WO-2014027112-A1 TRIS(HETERO)ARYLPYRAZOLES AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2014-02-20 WO disclosed
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US disclosed
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP disclosed
WO-2000043383-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2000-07-27 WO disclosed
WO-2000021952-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
WO-2000021948-A1 NAPHTHRYDINE COMPOUNDS AND THEIR AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO disclosed
US-5190922-A Antiinflammatory ABBOTT LABORATORIES (US) 1993-03-02 US disclosed
WO-1992021361-A1 TERMINALLY MODIFIED TRI-, TETRA- AND PENTAPEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1992-12-10 WO disclosed
US-4107432-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-08-15 US disclosed
US-4058661-A 7-Diacyl cephalosporins MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 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 (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-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS CYP2D6 831/4885CYP2C19 1842/4885TP53 3201/4885

“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.