Sugi Predict

Sugi Predict / Compounds / SCHEMBL2141850

SCHEMBL2141850

SCHEMBL2141850

COc1ccc(-c2ccncc2O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.41
▸ SLC22A12 Q96S37 2/20 0.39
▸ CACNA1B Q00975 1/20 0.37
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KDR P35968 3/20 0.35
▸ BMP4 P12644 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ CCNE2 O96020 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL2141856 1.00 RPS6KA3 (0.41) RPS6KA3SLC22A12CACNA1BCYP11B1CYP11B2
SCHEMBL315521 0.88 CYP1A2 (0.31) RPS6KA3CYP1A2CYP2D6
SCHEMBL315520 0.88 CYP1A2 (0.31) RPS6KA3CYP1A2CYP2D6
SCHEMBL2138959 0.86 RPS6KA3 (0.39) RPS6KA3SLC22A12CACNA1BCYP11B1CYP11B2
SCHEMBL2138955 0.86 RPS6KA3 (0.39) RPS6KA3SLC22A12CACNA1BCYP11B1CYP11B2
SCHEMBL315265 0.83 HPGDS (0.37) CYP11B1CYP11B2GSK3BCYP1A2CYP3A4
SCHEMBL315266 0.83 HPGDS (0.37) CYP11B1CYP11B2GSK3BCYP1A2CYP3A4
SCHEMBL2141859 0.83 SLC22A12 (0.40) SLC22A12CYP11B1CYP11B2GSK3AGSK3B
SCHEMBL2142775 0.83 CACNA1B (0.39) SLC22A12CACNA1BCYP11B1CYP11B2
SCHEMBL2141864 0.83 SLC22A12 (0.40) SLC22A12CYP11B1CYP11B2GSK3AGSK3B

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 RPS6KA3 1866/4885SLC22A12 3276/4885CACNA1B 4674/4885

“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.