SCHEMBL14537709

SCHEMBL14537709

O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1Oc1ccc(N(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ PKM P14618 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ USP2 O75604 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ HSP90AA1 P07900 2/20 0.45
▸ HSP90AB1 P08238 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13265819 0.82 MAPT (0.51) HPGDHSD17B10GAAALDH1A1MAPT
SCHEMBL13265857 0.74 MAPT (0.54) HPGDHSD17B10GAAALDH1A1MAPT
SCHEMBL9968015 0.69 HPGD (1.00) HPGDHSD17B10ALDH1A1MAPTPKM
SCHEMBL13265977 0.68 PKLR (0.46) ALDH1A1MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL12293031 0.68 EDNRB (0.54) HPGDHSD17B10GAAALDH1A1MAPT
SCHEMBL9968017 0.66 MAPT (1.00) HPGDGAAALDH1A1MAPTPKM
SCHEMBL10079157 0.66 GFER (0.78) HPGDHSD17B10ALDH1A1MAPTPKM
SCHEMBL7258840 0.66 MAPT (0.66) HPGDHSD17B10GAAALDH1A1MAPT
SCHEMBL21035041 0.66 MAPT (0.66) HPGDHSD17B10GAAALDH1A1MAPT
SCHEMBL471080 0.65 MAPT (0.57) HPGDHSD17B10GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 HPGD 3668/4885HSD17B10 3349/4885GAA 2856/4885

“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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