SCHEMBL2140756

SCHEMBL2140756

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2ccc(F)cc2Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CYP11B2 P19099 1/20 0.32
KCNH2 Q12809 3/20 0.32
GRM5 P41594 1/20 0.31
CLK1 P49759 1/20 0.31
SCN9A Q15858 2/20 0.31
GRIN2B Q13224 1/20 0.30
ROS1 P08922 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL2140764 1.00 CTSA (0.34) CTSACDC7DBF4CHRNB1CHRNB2
SCHEMBL2140379 0.91 CTSA (0.36) CTSACYP11B2KCNH2GRM5ROCK2
SCHEMBL2143057 0.91 CTSA (0.36) CTSACYP11B2KCNH2GRM5ROCK2
SCHEMBL2140964 0.90 CHRNB1 (0.33) CTSACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2139910 0.90 CHRNB1 (0.33) CTSACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2137841 0.90 CTSA (0.38) CTSAKCNH2GRM5GRIN2B
SCHEMBL2140425 0.90 CTSA (0.38) CTSAKCNH2GRM5GRIN2B
SCHEMBL2141760 0.89 KCNH2 (0.42) CTSAKCNH2GRM5GRIN2B
SCHEMBL2143467 0.89 KCNH2 (0.42) CTSAKCNH2GRM5GRIN2B
SCHEMBL2138226 0.89 CYP11B2 (0.39) CTSACDC7DBF4CHRNB1CHRNB2

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 1743/4885CDC7 4012/4885DBF4 4100/4885

“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.