Sugi Predict

Sugi Predict / Compounds / SCHEMBL2139989

SCHEMBL2139989

SCHEMBL2139989

COc1ccc(-c2cncc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 9/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PIK3CG P48736 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 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

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
SCHEMBL2139983 1.00 FPR2 (0.38) FPR2CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL2137754 0.90 FPR2 (0.45) FPR2CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL2137748 0.90 FPR2 (0.45) FPR2CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL2142982 0.88 PDGFRB (0.40) FPR2CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL2142988 0.88 PDGFRB (0.40) FPR2CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL2140192 0.88 CYP11B1 (0.41) FPR2CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL2140197 0.88 CYP11B1 (0.41) FPR2CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL2141431 0.85 CHRNB1 (0.45) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL2141428 0.85 CHRNB1 (0.45) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL2141227 0.85 CYP11B1 (0.43) CYP1A2CYP11B1CYP11B2CYP3A4CYP2C9

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 FPR2 673/4885CYP1A2 270/4885CYP11B1 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.