Sugi Predict

Sugi Predict / Compounds / SCHEMBL987100

SCHEMBL987100

SCHEMBL987100

CCOC(=O)c1cnc(O)c([N+](=O)[O-])c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 5/20 0.43
▸ HSP90AA1 P07900 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GALR2 O43603 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL4070292 0.81 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL25335624 0.79 TSHR (0.47) ALDH1A1MAPTHSP90AA1SMN1; SMN2LMNA
SCHEMBL6732648 0.77 ALDH1A1 (0.50) ALDH1A1MAPTHSP90AA1SMN1; SMN2GALR2
SCHEMBL9046420 0.76 MAPT (0.43) ALDH1A1MAPTHSP90AA1SMN1; SMN2GALR2
SCHEMBL31733261 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHSP90AA1SMN1; SMN2POLB
SCHEMBL574989 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHSP90AA1SMN1; SMN2GALR2
SCHEMBL27314724 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHSP90AA1SMN1; SMN2GALR2
SCHEMBL30846439 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHSP90AA1SMN1; SMN2GALR2
SCHEMBL2693688 0.76 KMT2A (0.49) ALDH1A1MAPTHSP90AA1SMN1; SMN2LMNA
SCHEMBL4766494 0.75 ALDH1A1 (0.46) ALDH1A1MAPTHSP90AA1SMN1; SMN2GALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025236100-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2025-11-20 — — WO disclosed
WO-2024127363-A1 TYK2 PSEUDOKINASE LIGANDS AND USES THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2024-06-20 — — WO disclosed
CN-103142632-B The Macrolide being used for the treatment of disease mediated by suppressing PDE BASLIER PHARMACEUTICAL AG (CH) 2016-01-20 — — CN disclosed
CN-101939012-B Macrolides for the treatment of diseases mediated by inhibition of PDE BASILEA PHARMACEUTICA AG 2015-04-22 — — CN disclosed
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 — — EP disclosed
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 — — EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 — — US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 — — US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 — — US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 — — US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 — — US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 — — US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 — — US disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 — — EP disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 — — US disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 — — WO disclosed
EP-2049556-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES Basilea Pharmaceutica AG (CH) 2009-04-22 — — EP disclosed
WO-2008017696-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES BASILEA PHARMACEUTICA AG (CH) 2008-02-14 — — 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 (3 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-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B ALDH1A1 1654/4885MAPT 3470/4885HSP90AA1 3675/4885
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 ALDH1A1 4616/4885MAPT 4860/4885HSP90AA1 1902/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 ALDH1A1 3239/4885MAPT 4802/4885HSP90AA1 2190/4885

“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.