SCHEMBL16134498

SCHEMBL16134498

O=S(=O)(O)c1nc2cc(Cl)cc(Cl)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ CHUK O15111 1/20 0.30

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
SCHEMBL16134727 0.77 L3MBTL1 (0.56) L3MBTL1GAAHSD17B10KDM4EALDH1A1
SCHEMBL7414528 0.73 L3MBTL1 (0.60) L3MBTL1GAAHSD17B10GRIN2DGRIN3B
SCHEMBL8872830 0.73 ALDH1A1 (0.39) GAAHSD17B10KDM4EGRIN2DGRIN3B
SCHEMBL8185211 0.72 GAA (0.57) L3MBTL1GAAHSD17B10GRIN2DGRIN3B
SCHEMBL7045022 0.72 CYP1A2 (0.40) GAAHSD17B10KDM4EGRIN2DGRIN3B
SCHEMBL16134513 0.70 L3MBTL1 (0.44) L3MBTL1GAAHSD17B10ALDH1A1
SCHEMBL16134490 0.70 HSD17B10 (0.67) L3MBTL1GAAHSD17B10KDM4EALDH1A1
SCHEMBL3034495 0.70 L3MBTL1 (0.44) L3MBTL1GAAHSD17B10
SCHEMBL27743870 0.70 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10KDM4EALDH1A1
SCHEMBL5924445 0.69 HTR3E (0.47) GAAHSD17B10KDM4EGRIN2DGRIN3B

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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 — — US disclosed
WO-2014160405-A1 COMPOUNDS, COMPOSITIONS COMPRISING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-10-02 — — 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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 L3MBTL1 4609/4885GAA 203/4885HSD17B10 1254/4885

“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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