SCHEMBL313935

SCHEMBL313935

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2sc(C)nc2C)nc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.34
POLB P06746 4/20 0.32
MAPT P10636 2/20 0.32
COMT P21964 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
CDK4 P11802 2/20 0.31
CDK2 P24941 2/20 0.31
CCNE1 P24864 1/20 0.31
AURKA O14965 1/20 0.30
CDK1 P06493 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
AURKB Q96GD4 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
SCHEMBL3397421 1.00 TRPV4 (0.34) TRPV4POLBMAPTCOMTCYP4F2
SCHEMBL315420 0.85 CYP4A11 (0.33) CYP4F2CYP4A11
SCHEMBL315419 0.85 CYP4A11 (0.33) CYP4F2CYP4A11
SCHEMBL5283290 0.82 CHRNA7 (0.44) CYP4F2CYP4A11
SCHEMBL2142885 0.82 CHRNA7 (0.44) CYP4F2CYP4A11
SCHEMBL1972811 0.81 FFAR4 (0.36) MAPTKMT2A
SCHEMBL1972812 0.81 FFAR4 (0.36) MAPTKMT2A
SCHEMBL314941 0.81 CHRNA7 (0.35) CYP4F2CYP4A11KMT2A
SCHEMBL3399328 0.81 CHRNA7 (0.35) CYP4F2CYP4A11KMT2A
SCHEMBL314638 0.81 CHRNA7 (0.32) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX TRPV4 3648/4885POLB 3796/4885MAPT 4436/4885

“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.