Sugi Predict

Sugi Predict / Compounds / SCHEMBL315769

SCHEMBL315769

SCHEMBL315769

Cc1noc(C)c1-c1cc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.37
▸ CYP1A2 P05177 16/20 0.37
▸ CYP2C19 P33261 9/20 0.37
▸ CYP3A4 P08684 8/20 0.37
▸ ALOX15 P16050 5/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.35
▸ CLK4 Q9HAZ1 6/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TSHR P16473 4/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CYP2C9 P11712 5/20 0.34
▸ FFAR2 O15552 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL315768 1.00 FFAR1 (0.37) FFAR1CYP1A2CYP2C19CYP3A4ALOX15
SCHEMBL315465 0.85 AURKA (0.35) CYP1A2CYP2C19CYP3A4ALOX15HSD17B10
SCHEMBL315464 0.85 AURKA (0.35) CYP1A2CYP2C19CYP3A4ALOX15HSD17B10
SCHEMBL2410464 0.82 BRD4 (0.51) FFAR1BRD4BRD2CREBBP
SCHEMBL2410469 0.82 BRD4 (0.51) FFAR1BRD4BRD2CREBBP
SCHEMBL2412534 0.81 SLC9A3 (0.42) CYP1A2CYP2C19CYP3A4HSD17B10TDP1
SCHEMBL2412532 0.81 SLC9A3 (0.42) CYP1A2CYP2C19CYP3A4HSD17B10TDP1
SCHEMBL316567 0.79 CYP1A2 (0.34) CYP1A2CYP2C19CYP3A4ALOX15HSD17B10
SCHEMBL316566 0.79 CYP1A2 (0.34) CYP1A2CYP2C19CYP3A4ALOX15HSD17B10
SCHEMBL315538 0.78 FFAR1 (0.33) FFAR1CYP3A4ALOX15HSD17B10TDP1

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-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
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 — — EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX FFAR1 3460/4885CYP1A2 111/4885CYP2C19 164/4885

“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.