SCHEMBL2139647

SCHEMBL2139647

COc1cc(F)c(-c2cncc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP11B1 P15538 6/20 0.34
CYP11B2 P19099 6/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CTSA P10619 1/20 0.32
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
FFAR1 O14842 1/20 0.31
FYN P06241 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
FPR2 P25090 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
SCHEMBL2139651 1.00 CYP1A1 (0.35) CYP1A1CYP1B1CYP11B1CYP11B2PDE2A
SCHEMBL2142568 0.90
SCHEMBL2142561 0.90
SCHEMBL315032 0.87 CYP1A1 (0.41) CYP1A1CYP1B1CYP11B1CYP11B2CHRNB2
SCHEMBL315031 0.87 CYP1A1 (0.41) CYP1A1CYP1B1CYP11B1CYP11B2CHRNB2
SCHEMBL2142118 0.84 FPR2 (0.37) CYP1A1CYP1B1CYP11B1CYP11B2MKNK1
SCHEMBL2142112 0.84 FPR2 (0.37) CYP1A1CYP1B1CYP11B1CYP11B2MKNK1
SCHEMBL2141216 0.83 CYP11B1 (0.43) CYP1A1CYP1B1CYP11B1CYP11B2CHRNB2
SCHEMBL2141227 0.83 CYP11B1 (0.43) CYP1A1CYP1B1CYP11B1CYP11B2CHRNB2
SCHEMBL2140192 0.82 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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 CYP1A1 383/4885CYP1B1 292/4885CYP11B1 221/4885

“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.