SCHEMBL2142633

SCHEMBL2142633

COc1ccc(-c2ccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
CASP3 P42574 3/20 0.39
SENP7 Q9BQF6 3/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
CHRNA7 P36544 1/20 0.37
NAAA Q02083 2/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
CYP11B1 P15538 1/20 0.36
GBA1 P04062 2/20 0.35
GLA P06280 1/20 0.35
CHEK1 O14757 1/20 0.35
PTGER4 P35408 1/20 0.34
FYN P06241 2/20 0.34
NEK2 P51955 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 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
SCHEMBL2142627 1.00 RXFP1 (0.44) RXFP1CASP3SENP7SENP8SENP6
SCHEMBL2140810 0.90 CHRNA7 (0.47) RXFP1CHRNA7NAAAPTGER4
SCHEMBL2140812 0.90 CHRNA7 (0.47) RXFP1CHRNA7NAAAPTGER4
SCHEMBL314949 0.90 CYP11B1 (0.37) RXFP1NAAACYP11B1FYN
SCHEMBL314948 0.90 CYP11B1 (0.37) RXFP1NAAACYP11B1FYN
SCHEMBL315193 0.89 MTOR (0.33) RXFP1CHRNA7NAAA
SCHEMBL315194 0.89 MTOR (0.33) RXFP1CHRNA7NAAA
SCHEMBL2141549 0.88 RXFP1 (0.38) RXFP1NPC1CHRNA7IDO1TDO2
SCHEMBL2141541 0.88 RXFP1 (0.38) RXFP1NPC1CHRNA7IDO1TDO2
SCHEMBL315274 0.88 FYN (0.37) RXFP1CYP11B1FYN

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 RXFP1 3131/4885CASP3 1349/4885SENP7 1266/4885

“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.