SCHEMBL6740830

SCHEMBL6740830

O=CC(S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
SRC P12931 2/20 0.39
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL8414774 0.97 CYP2D6 (0.42) CYP2D6SRCDPP4F2TSHR
SCHEMBL4597913 0.75 IDO1 (0.38) ALDH1A1LMNA
SCHEMBL776297 0.74 TSHR (0.38) DPP4F2TSHRALDH1A1LMNA
SCHEMBL193931 0.72 CYP2D6 (0.48) CYP2D6SRCDPP4F2TSHR
SCHEMBL548634 0.72 CYP2D6 (0.48) CYP2D6SRCDPP4F2TSHR
SCHEMBL4432460 0.72 CYP2D6 (0.48) CYP2D6SRCDPP4F2TSHR
Hydrochloric Acid SCHEMBL11163950 0.72 CYP2C19 (0.36) DPP4F2TSHRALDH1A1LMNA
Bicarbonate SCHEMBL8962406 0.72 CYP2C19 (0.46) CYP2D6SRCLMNAMAPK1CES2
SCHEMBL13184071 0.72 CYP2D6 (0.43) CYP2D6SRCDPP4F2LMNA
SCHEMBL4417704 0.70 CYP2D6 (0.46) CYP2D6SRCDPP4F2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683190-B1 CONTACTING RACEMIC HYDANTOIN WITH ENANTIOMERIC SPLITTING AGENT; DECYCLIZATION BAYER CROPSCIENCE S.A. (FR) 2004-01-27 US claimed
EP-0551048-B1 2-imidazoline-5-one and 2-imidazoline-5-thiones derivatives as fungizides AVENTIS CROPSCIENCE SA (FR) 2002-08-07 EP claimed
EP-1076718-B1 NOVEL METHOD FOR PREPARING SYNTHESIS INTERMEDIATES AVENTIS CROPSCIENCE SA (FR) 2002-05-02 EP claimed
WO-1995034541-A1 FUNGICIDAL 5-IMINO-2-IMIDAZOLINE DERIVATIVES RHONE POULENC AGROCHIMIE (FR) 1995-12-21 WO claimed
EP-0648210-A1 FUNGICIDAL 2-IMIDAZOLINE-5-ONE AND 2-IMIDAZOLINE-5-THIONE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1995-04-19 EP claimed
EP-0629616-A2 Optically aktive 2-imidazolin-5-one and 2-imidazolin-5-thione derivatives as fungicides RHONE-POULENC AGROCHIMIE (FR) 1994-12-21 EP claimed
WO-1994001410-A1 FUNGICIDAL 2-IMIDAZOLINE-5-ONE AND 2-IMIDAZOLINE-5-THIONE DERIVATIVES RHONE POULENC AGROCHIMIE (FR) 1994-01-20 WO claimed
EP-0551048-A1 2-imidazoline-5-one and 2-imidazoline-5-thiones derivatives as fungizides RHONE-POULENC AGROCHIMIE (FR) 1993-07-14 EP claimed
US-7833998-B2 Oral neurotherapeutic cephalosporin sulfoxide and sulfone-containing compositions REVAAX PHARMACEUTICALS, LLC (US) 2010-11-16 US disclosed
US-20080176825-A1 Oral Neurotherapeutic Cefazolin Compositons REVAAX PHARMACEUTICALS, LLC 2008-07-24 US disclosed
US-6759551-B1 COMPOUND IS DISSOLVED, IN THE FREE AMINO ACID FORM OR IN THE SALIFIED FORM, IN A PH REGION OF LESS THAN APPROXIMATELY 4.5 OR GREATER THAN APPROXIMATELY 9, THEN PH IS GRADUALLY BROUGHT, BY ADDITION OF A BASE OR OF AN ACID RESPECTIVELY, TO NEUTRAL BAYER CROPSCIENCE S.A. (FR) 2004-07-06 US disclosed
US-6683190-B1 CONTACTING RACEMIC HYDANTOIN WITH ENANTIOMERIC SPLITTING AGENT; DECYCLIZATION BAYER CROPSCIENCE S.A. (FR) 2004-01-27 US disclosed
EP-0551048-B1 2-imidazoline-5-one and 2-imidazoline-5-thiones derivatives as fungizides AVENTIS CROPSCIENCE SA (FR) 2002-08-07 EP disclosed
CN-1309659-A Organic phosphorus compounds and their use JOMAA HASSAN (DE) 2001-08-22 CN disclosed
EP-0648210-A1 FUNGICIDAL 2-IMIDAZOLINE-5-ONE AND 2-IMIDAZOLINE-5-THIONE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1995-04-19 EP disclosed
EP-0629616-A2 Optically aktive 2-imidazolin-5-one and 2-imidazolin-5-thione derivatives as fungicides RHONE-POULENC AGROCHIMIE (FR) 1994-12-21 EP disclosed
WO-1994001410-A1 FUNGICIDAL 2-IMIDAZOLINE-5-ONE AND 2-IMIDAZOLINE-5-THIONE DERIVATIVES RHONE POULENC AGROCHIMIE (FR) 1994-01-20 WO disclosed
EP-0551048-A1 2-imidazoline-5-one and 2-imidazoline-5-thiones derivatives as fungizides RHONE-POULENC AGROCHIMIE (FR) 1993-07-14 EP disclosed
EP-0307476-A1 BILIRUBIN ANTIGEN, MONOCLONAL ANTIBODY THEREFOR, PROCESS FOR THEIR PREPARATION, AND THEIR USE KUKITA, Takeshi (JP) 1989-03-22 EP disclosed
CN-1030074-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORP (US) 1989-01-04 CN 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-20080176825-A1 Oral Neurotherapeutic Cefazolin Compositons BDNF, PRSS12, PYGB CYP2D6 380/4885SRC 4565/4885DPP4 2669/4885

“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.