SCHEMBL2140379

SCHEMBL2140379

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2ccc(F)cc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.36
KCNH2 Q12809 2/20 0.33
FAAH O00519 1/20 0.32
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
MAPK13 O15264 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
CDK1 P06493 1/20 0.31
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
FGFR3 P22607 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CDK2 P24941 1/20 0.31
MARK3 P27448 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL2143057 1.00 CTSA (0.36) CTSAKCNH2FAAHPLK4AURKA
SCHEMBL2140425 0.92 CTSA (0.38) CTSAKCNH2GRM5
SCHEMBL2137841 0.92 CTSA (0.38) CTSAKCNH2GRM5
SCHEMBL2140756 0.91 CTSA (0.34) CTSAKCNH2ROCK2GRM5CYP11B2
SCHEMBL2140764 0.91 CTSA (0.34) CTSAKCNH2ROCK2GRM5CYP11B2
SCHEMBL2143467 0.91 KCNH2 (0.42) CTSAKCNH2GRM5
SCHEMBL2141760 0.91 KCNH2 (0.42) CTSAKCNH2GRM5
SCHEMBL2139187 0.89 ABL1 (0.38) KCNH2ROCK2CYP11B2CYP11B1
SCHEMBL2140809 0.89 ABL1 (0.38) KCNH2ROCK2CYP11B2CYP11B1
SCHEMBL2140007 0.87

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
US-8148407-B2 Compounds derived from 5-thioxylose and their use in therapeutics LABORATORIES FOURNIER S.A. (FR) 2012-04-03 US disclosed
US-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics INVENTIVA (FR) 2008-11-27 US disclosed
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 EP disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 CTSA 1743/4885KCNH2 4187/4885FAAH 1987/4885

“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.