SCHEMBL4485884

SCHEMBL4485884

CC(C)(Cc1cccs1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 4/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
RAB9A P51151 2/20 0.41
CYP2C9 P11712 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
USP2 O75604 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
SCHEMBL28013833 0.85 POLB (0.51) RIPK1CYP2C19L3MBTL1POLBHPGD
SCHEMBL6870554 0.85 RIPK1 (0.50) RIPK1CYP2C19L3MBTL1POLBHPGD
SCHEMBL28135655 0.85 CYP2C19 (0.50) RIPK1CYP2C19L3MBTL1POLBHPGD
SCHEMBL6533651 0.84 BLM (0.50) RIPK1CYP2C19POLBHPGDTDP1
SCHEMBL4473902 0.82 RIPK1 (0.51) RIPK1CYP2C19L3MBTL1POLBHPGD
SCHEMBL28997198 0.81 CYP2C19 (0.53) RIPK1CYP2C19POLBHPGDTDP1
SCHEMBL28013830 0.81 RIPK1 (0.50) RIPK1CYP2C19POLBHPGDTDP1
SCHEMBL28391772 0.81 CYP2C19 (0.46) RIPK1CYP2C19POLBHPGDTDP1
SCHEMBL4485726 0.81 RIPK1 (0.47) RIPK1CYP2C19L3MBTL1POLBHPGD
SCHEMBL28823525 0.80 CYP2C19 (0.45) RIPK1CYP2C19POLBHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104496870-A Catalytic synthesis method of sulfur-containing carboxylic acid compound and sulfur-containing amide compound UNIV HUNAN 2015-04-08 CN disclosed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
CN-101605777-A Imidazoles as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-12-16 CN disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
EP-1288203-B1 Cyclic nitrones and pharmaceutical compositions containing them AVENTIS PHARMA INC (US) 2005-04-20 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO disclosed
EP-1288203-A1 Cyclic nitrones and pharmaceutical compositions containing them Aventis Pharmaceuticals Inc. (US) 2003-03-05 EP disclosed
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 US disclosed
US-5614522-A SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS G.D. SEARLE & CO. (US) 1997-03-25 US disclosed
WO-1997010218-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1997-03-20 WO disclosed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP disclosed
US-5475013-A Inhibit human immunodeficiency virus protease MONSANTO COMPANY (US) 1995-12-12 US disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
US-4517188-A HYPOTENSIVE AGENTS, VASODILATORS, ADRENERGIC BETA BLOCKERS MEAD JOHNSON & COMPANY (US) 1985-05-14 US disclosed
US-4321398-A Thienyl and benzothienyl-tertiary butylaminophenoxypropanols MEAD JOHNSON & COMPANY (US) 1982-03-23 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK RIPK1 577/4885CYP2C19 420/4885L3MBTL1 4451/4885

“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.