Sugi Predict

Sugi Predict / Compounds / SCHEMBL374327

SCHEMBL374327

SCHEMBL374327

O=[N+]([O-])c1c(Cl)ccc(C(F)(F)F)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 3/20 0.52
▸ VEGFA P15692 1/20 0.51
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TXNRD1 Q16881 1/20 0.42
▸ TXNRD3 Q86VQ6 1/20 0.42
▸ TXNRD2 Q9NNW7 1/20 0.42
▸ ARNT P27540 1/20 0.40
▸ RORC P51449 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ CLCN2 P51788 1/20 0.36
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ KIF11 P52732 2/20 0.34

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
SCHEMBL29763615 1.00 EPAS1 (0.52) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL1459049 0.87 EPAS1 (0.43) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL9350046 0.85 TSHR (0.48) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL1459050 0.84 EPAS1 (0.51) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL27757990 0.82 EPAS1 (0.41) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL28300776 0.82 EPAS1 (0.50) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL16174887 0.81 TSHR (0.44) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL5316312 0.80 EPAS1 (0.44) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL27323607 0.79 ALDH1A1 (0.43) EPAS1VEGFATSHRALDH1A1TDP1
SCHEMBL18036863 0.78 EPAS1 (0.91) EPAS1VEGFAALDH1A1TDP1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111533660-A Preparation method of 2, 4-dichloro-3, 5-dinitrobenzotrifluoride 泰州百力化学股份有限公司 2020-08-14 — — CN claimed
US-RE49948-E1 Aryl ethers and uses thereof PELOTON THERAPEUTICS, INC. (US) 2024-04-30 — — US disclosed
CN-114682188-B Preparation equipment and method of 2, 4-dichloro-3, 5-dinitrobenzotrifluoride 江苏永创医药科技股份有限公司 2023-04-07 — — CN disclosed
CN-114682188-A Preparation equipment and method of 2, 4-dichloro-3, 5-dinitrobenzotrifluoride 江苏永创医药科技股份有限公司 2022-07-01 — — CN disclosed
CN-110372550-B Aryl ethers and their use 佩洛通治疗公司 2021-08-24 — — CN disclosed
CN-111533660-A Preparation method of 2, 4-dichloro-3, 5-dinitrobenzotrifluoride 泰州百力化学股份有限公司 2020-08-14 — — CN disclosed
EP-3417851-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-07-22 — — EP disclosed
US-20200190031-A1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2020-06-18 — — US disclosed
US-10597366-B2 Aryl ethers and uses thereof PELOTON THERAPEUTICS, INC. (US) 2020-03-24 — — US disclosed
EP-3417852-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-02-19 — — EP disclosed
EP-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 — — EP disclosed
EP-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 — — EP disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 — — US disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 — — EP disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 — — WO disclosed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 — — EP disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 — — US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 — — WO disclosed
EP-0029123-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED ANILINES, AND SUBSTITUTED ANILINES BASF Aktiengesellschaft (DE) 1983-06-08 — — EP disclosed
EP-0029123-A1 Process for the preparation of substituted anilines, and substituted anilines BASF Aktiengesellschaft (DE) 1981-05-27 — — EP 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP EPAS1 1800/4885VEGFA 4406/4885TSHR 4868/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 EPAS1 1911/4885VEGFA 4682/4885TSHR 1940/4885
US-20200190031-A1 ARYL ETHERS AND USES THEREOF HIF1AN, EGLN2, VHL EPAS1 9/4885VEGFA 21/4885TSHR 1110/4885
US-10597366-B2 Aryl ethers and uses thereof HIF1AN, EGLN2, VHL EPAS1 9/4885VEGFA 21/4885TSHR 1110/4885

“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.