Sugi Predict

Sugi Predict / Compounds / SCHEMBL2901097

SCHEMBL2901097

SCHEMBL2901097

Nc1cc(C(=O)O)c(Cl)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ POLB P06746 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA13 Q8N1Q1 1/20 0.50
▸ CISD1 Q9NZ45 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL31277421 1.00 ALDH1A1 (0.51) ALDH1A1POLBHPGDL3MBTL1GAA
SCHEMBL3131937 0.88 CYP3A4 (0.52) ALDH1A1POLBHPGDL3MBTL1GAA
SCHEMBL3031603 0.88 CYP3A4 (0.52) ALDH1A1POLBHPGDL3MBTL1GAA
SCHEMBL16539867 0.86 GAA (0.55) ALDH1A1POLBHPGDL3MBTL1GAA
SCHEMBL18669166 0.86 SLC9A1 (0.58) ALDH1A1POLBHPGDL3MBTL1GAA
SCHEMBL612667 0.86 CA12 (0.55) ALDH1A1POLBHPGDL3MBTL1GAA
SCHEMBL68449 0.85 ALDH1A1 (0.61) ALDH1A1POLBHPGDCYP3A4CA12
SCHEMBL987442 0.85 IDO1 (0.62) ALDH1A1POLBHPGDL3MBTL1GAA
SCHEMBL9061252 0.83 ALDH1A1 (0.58) ALDH1A1POLBHPGDGAAIDO1
Hydrochloric Acid SCHEMBL944411 0.83 ALDH1A1 (0.58) ALDH1A1POLBHPGDCYP3A4CA12

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
CN-115888834-B Metal organic framework photocatalytic bactericide grafted with N-halamine and preparation method and application thereof 南京邮电大学 2024-07-19 — — CN claimed
CN-115888834-A N-halamine grafted metal organic framework photocatalytic bactericide and preparation method and application thereof 南京邮电大学 2023-04-04 — — CN claimed
CN-115888834-B Metal organic framework photocatalytic bactericide grafted with N-halamine and preparation method and application thereof 南京邮电大学 2024-07-19 — — CN disclosed
CN-115888834-A N-halamine grafted metal organic framework photocatalytic bactericide and preparation method and application thereof 南京邮电大学 2023-04-04 — — CN disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 — — US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 — — US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 — — US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 — — EP disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 — — US disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 — — WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 — — WO disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 — — US disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 — — EP disclosed
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 — — US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 — — US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 — — 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 (4 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 ALDH1A1 204/4885POLB 1480/4885HPGD 79/4885
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 ALDH1A1 1078/4885POLB 3545/4885HPGD 1428/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 ALDH1A1 2355/4885POLB 805/4885HPGD 1434/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ALDH1A1 3364/4885POLB 649/4885HPGD 1517/4885

“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.