SCHEMBL6315852

SCHEMBL6315852

CSc1ccc(-c2ccsc2CN(C(=O)c2ccc(Cl)cc2Cl)C(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
KIF11 P52732 1/20 0.37
SHMT1 P34896 1/20 0.36
PDK1 Q15118 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6317258 0.89 CYP3A4 (0.39) PTPN1ADAMTS5KIF11SHMT1
SCHEMBL6317231 0.88 RORB (0.41) PTPN1ADAMTS5KIF11SHMT1
SCHEMBL6317221 0.88 RORB (0.41) PTPN1ADAMTS5KIF11SHMT1
SCHEMBL6318428 0.88 KIF11 (0.38) PTPN1KIF11SHMT1PDK1
SCHEMBL6318056 0.86 KIF11 (0.37) PTPN1ADAMTS5KIF11SHMT1
SCHEMBL6318059 0.86 KIF11 (0.37) PTPN1ADAMTS5KIF11SHMT1
SCHEMBL6320486 0.86 SHMT1 (0.42) KIF11SHMT1TMEM97SIGMAR1
SCHEMBL6318151 0.86 SHMT1 (0.42) KIF11SHMT1TMEM97SIGMAR1
SCHEMBL6323529 0.86 RORB (0.37) KIF11SHMT1
SCHEMBL6323532 0.86 RORB (0.37) KIF11SHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 EP claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
WO-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2002-12-19 WO claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 EP disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US disclosed
WO-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2002-12-19 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS PTPN1 1268/4885ADAMTS5 1548/4885KIF11 2199/4885

“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.