Sugi Predict

Sugi Predict / Compounds / SCHEMBL2140197

SCHEMBL2140197

SCHEMBL2140197

COc1ccc(-c2cncc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.41
▸ CYP11B2 P19099 6/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ FPR2 P25090 4/20 0.38
▸ CYP17A1 P05093 1/20 0.37
▸ NAAA Q02083 3/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL2140192 1.00 CYP11B1 (0.41) CYP11B1CYP11B2PDGFRBPDGFRAFPR2
SCHEMBL2137748 0.90 FPR2 (0.45) CYP11B1CYP11B2PDGFRBPDGFRAFPR2
SCHEMBL2137754 0.90 FPR2 (0.45) CYP11B1CYP11B2PDGFRBPDGFRAFPR2
SCHEMBL2139625 0.89 CYP11B1 (0.43) CYP11B1CYP11B2FPR2NAAA
SCHEMBL2139622 0.89 CYP11B1 (0.43) CYP11B1CYP11B2FPR2NAAA
SCHEMBL2142982 0.88 PDGFRB (0.40) CYP11B1CYP11B2PDGFRBPDGFRAFPR2
SCHEMBL2142988 0.88 PDGFRB (0.40) CYP11B1CYP11B2PDGFRBPDGFRAFPR2
SCHEMBL2142902 0.88 CYP11B1 (0.38) CYP11B1CYP11B2PDGFRBPDGFRAGRIN1
SCHEMBL2142910 0.88 CYP11B1 (0.38) CYP11B1CYP11B2PDGFRBPDGFRAGRIN1
SCHEMBL2139983 0.88 FPR2 (0.38) CYP11B1CYP11B2PDGFRBPDGFRAFPR2

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 CYP11B1 221/4885CYP11B2 222/4885PDGFRB 1841/4885

“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.