SCHEMBL17595325

SCHEMBL17595325

O=c1cc(OB(O)O)[nH]c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ YTHDF3 Q7Z739 1/20 0.35
▸ YTHDF1 Q9BYJ9 1/20 0.35
▸ YTHDF2 Q9Y5A9 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPR84 Q9NQS5 3/20 0.32
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4C Q9H3R0 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
SCHEMBL6435895 0.71 CA1 (0.56) ALDH1A1LMNACYP1A2CA1YTHDF3
SCHEMBL9354003 0.65 CA1 (0.43) ALDH1A1LMNACYP1A2CA1YTHDF3
SCHEMBL1774205 0.62 — —
SCHEMBL30960885 0.60 FLT3 (0.44) ALDH1A1LMNACYP1A2SMN1; SMN2HSD17B10
SCHEMBL11841644 0.60 CYP1A2 (0.71) ALDH1A1LMNACYP1A2CA1YTHDF3
Hydrochloric Acid SCHEMBL4663528 0.59 CA1 (0.46) ALDH1A1LMNACYP1A2CA1YTHDF3
Orotic Acid SCHEMBL20865 0.58 ALDH1A1 (1.00) ALDH1A1LMNACYP1A2CA1SMN1; SMN2
SCHEMBL8974784 0.58 GPR84 (0.50) ALDH1A1LMNASMN1; SMN2GPR84KDM4C
SCHEMBL27661275 0.58 ALDH1A1 (0.45) ALDH1A1LMNACYP1A2CA1YTHDF3
Orotic Acid SCHEMBL29394966 0.58 ALDH1A1 (1.00) ALDH1A1LMNACYP1A2CA1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327471-A1 Aryl sulphide and aryl sulphoxide derivatives having C-C-attached uracils as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 — — US disclosed
EP-3191458-A1 ARYL SULFIDE AND ARYL SULFOXIDE DERIVATIVES HAVING C-C LINKED URACILS, AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-07-19 — — EP disclosed
WO-2016037997-A1 ARYL SULFIDE AND ARYL SULFOXIDE DERIVATIVES HAVING C-C LINKED URACILS, AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-03-17 — — 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-20170327471-A1 Aryl sulphide and aryl sulphoxide derivatives having C-C-attached uracils as pesticides DDT, ARSA, USP21 ALDH1A1 279/4885LMNA 4014/4885CYP1A2 423/4885

“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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