Sugi Predict

Sugi Predict / Compounds / SCHEMBL2729263

SCHEMBL2729263

SCHEMBL2729263

O=C(O)C(C(=O)O)c1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ VCAM1 P19320 1/20 0.39
▸ ESPL1 Q14674 1/20 0.38
▸ GRM8 O00222 1/20 0.37
▸ GRM6 O15303 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37

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
SCHEMBL2729257 1.00 ATM (0.42) ATMTDP1ALDH1A1HIF1AMEN1
SCHEMBL7745002 0.85 ATM (0.39) ATMTDP1ALDH1A1HIF1AMEN1
SCHEMBL7744997 0.85 ATM (0.39) ATMTDP1ALDH1A1HIF1AMEN1
SCHEMBL27837948 0.85 TSHR (0.41) ATMTDP1ALDH1A1HIF1AMEN1
SCHEMBL16216362 0.83 AKR1C3 (0.41) ATMTDP1ALDH1A1HIF1AMEN1
SCHEMBL16207553 0.83 AKR1C3 (0.41) ATMTDP1ALDH1A1HIF1AMEN1
SCHEMBL5150294 0.80 AKR1C3 (0.44) ATMTDP1ALDH1A1HIF1AMEN1
SCHEMBL30977460 0.80 ATM (0.48) ATMTDP1ALDH1A1HIF1AMEN1
SCHEMBL7744957 0.79 VCAM1 (0.38) ATMTDP1ALDH1A1MEN1LMNA
SCHEMBL7744960 0.79 VCAM1 (0.38) ATMTDP1ALDH1A1MEN1LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022099439-A1 PREPARATION METHOD FOR 2,4,5-TRIFLUOROPHENYLACETIC ACID 杭州臻挚生物科技有限公司 2022-05-19 — — WO disclosed
EP-3087077-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-31 — — EP disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 — — US disclosed
EP-2934533-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-11-15 — — EP disclosed
US-9573961-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-02-21 — — US disclosed
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2016-11-10 — — US disclosed
EP-3087077-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-11-02 — — EP disclosed
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-11-19 — — US disclosed
EP-2934533-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-28 — — EP disclosed
WO-2015096035-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-02 — — WO disclosed
WO-2014099633-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-26 — — WO disclosed
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 — — US disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 — — US disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 — — US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 — — WO disclosed
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-01-28 — — US disclosed
EP-2101751-A1 BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-09-23 — — EP disclosed
US-20080167377-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2008-07-10 — — US disclosed
WO-2008071736-A1 BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-19 — — 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 (6 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-20080167377-A1 Novel compounds F12, C1R, MRGPRX1 ATM 2596/4885TDP1 3714/4885ALDH1A1 2581/4885
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 ATM 2718/4885TDP1 4440/4885ALDH1A1 1228/4885
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, WNK1, KCNJ1 ATM 3389/4885TDP1 3694/4885ALDH1A1 1458/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ATM 2767/4885TDP1 3937/4885ALDH1A1 1549/4885
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ATM 3781/4885TDP1 3485/4885ALDH1A1 1750/4885
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 ATM 2718/4885TDP1 4440/4885ALDH1A1 1228/4885

“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.