SCHEMBL2142248

SCHEMBL2142248

O=C(NCc1ccccc1)c1ccc(O)cn1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.62
▸ MMP13 P45452 1/20 0.60
▸ LCK P06239 1/20 0.56
▸ HPGD P15428 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ PRKAA2 P54646 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HPGDS O60760 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ DHFR P00374 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL27699630 0.85 HIF1A (0.72) EGFRLCKHIF1ASMN1; SMN2
SCHEMBL13210567 0.84 L3MBTL1 (0.76) EGFRMMP13HPGDGLAPRKAA2
SCHEMBL11633297 0.83 MMP13 (0.59) EGFRMMP13LCKHPGDGLA
SCHEMBL1019074 0.83 L3MBTL1 (0.65) EGFRMMP13HPGDGLAPRKAA2
SCHEMBL12266355 0.83 MMP13 (0.59) EGFRMMP13LCKHPGDGLA
SCHEMBL9967496 0.80 MMP13 (0.55) EGFRMMP13LCKHPGDGLA
SCHEMBL3083971 0.79 HTT (0.75) MMP13HPGDHPGDSHTTALDH1A1
SCHEMBL29733373 0.79 HTT (0.75) MMP13HPGDHPGDSHTTALDH1A1
SCHEMBL1018162 0.79 L3MBTL1 (0.60) EGFRMMP13HPGDGLAPRKAA2
Hydrochloric Acid SCHEMBL27924615 0.78 HTT (0.73) MMP13HPGDHPGDSHTTALDH1A1

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 2 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

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 EGFR 4467/4885MMP13 2117/4885LCK 848/4885

“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.

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