SCHEMBL4624103

SCHEMBL4624103

O=C(Oc1ccccc1OC(=O)c1ccccc1B(O)O)c1ccccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ENPP2 Q13822 1/20 0.48
▸ KMT2A Q03164 7/20 0.47
▸ ESR1 P03372 4/20 0.47
▸ ESR2 Q92731 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SLC6A3 Q01959 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ HMGB1 P09429 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
SCHEMBL8297850 0.85 KMT2A (0.43) KDM4EHSD17B10CYP1A2KMT2AESR1
SCHEMBL8297882 0.83 HPGD (0.46) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL30721723 0.83 HSD17B10 (0.59) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL8297749 0.80 MAPT (0.49) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL29402736 0.80 TSHR (0.59) KDM4EHSD17B10LMNAKMT2AMEN1
SCHEMBL129359 0.80 TSHR (0.59) KDM4EHSD17B10LMNAKMT2AMEN1
SCHEMBL5700024 0.79 PTK2B (0.59) HSD17B10LMNACYP1A2CYP2C9KMT2A
SCHEMBL27314785 0.78 TSHR (0.57) KDM4EHSD17B10LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL3987321 0.78 TSHR (0.57) KDM4EHSD17B10LMNAKMT2AMEN1
SCHEMBL8827884 0.78 ESR1 (0.38) KDM4EHSD17B10LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 — — EP disclosed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 — — EP disclosed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 — — US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 — — 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-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof ACE, ACE2, CTRL KDM4E 2334/4885HSD17B10 1411/4885LMNA 1697/4885

“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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