SCHEMBL2412237

SCHEMBL2412237

Cc1noc(C)c1-c1ccc(F)cc1O[C@@H]1SC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRD4 O60885 8/20 0.34
CREBBP Q92793 2/20 0.33
MAPK14 Q16539 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
AR P10275 1/20 0.33
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FTO Q9C0B1 1/20 0.33
FFAR2 O15552 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2412241 1.00 BTK (0.36) BTKCYP1A2CYP3A4CYP2C19BRD4
SCHEMBL2411799 0.88 BRD4 (0.38) CYP1A2CYP3A4CYP2C19BRD4AR
SCHEMBL2411794 0.88 BRD4 (0.38) CYP1A2CYP3A4CYP2C19BRD4AR
SCHEMBL2414234 0.83 BRD4 (0.40) BRD4CREBBP
SCHEMBL2414228 0.83 BRD4 (0.40) BRD4CREBBP
SCHEMBL315510 0.83 BRD4 (0.39) CYP1A2CYP3A4CYP2C19BRD4NSD3
SCHEMBL315511 0.83 BRD4 (0.39) CYP1A2CYP3A4CYP2C19BRD4NSD3
SCHEMBL314985 0.81 MTOR (0.33) CYP1A2CYP3A4CYP2C19BRD4MAPK14
SCHEMBL314984 0.81 MTOR (0.33) CYP1A2CYP3A4CYP2C19BRD4MAPK14
SCHEMBL2413381 0.81 ERN1 (0.40) BRD4CREBBPFTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 BTK 2085/4885CYP1A2 161/4885CYP3A4 86/4885

“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.