Sugi Predict

Sugi Predict / Compounds / SCHEMBL440478

SCHEMBL440478

SCHEMBL440478

Cc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ TSHR P16473 5/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ GPR35 Q9HC97 2/20 0.43
▸ VCAM1 P19320 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ESPL1 Q14674 1/20 0.42

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
SCHEMBL29525219 1.00 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL1828398 0.89 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL29479185 0.89 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL2471756 0.89 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL397387 0.89 ATM (0.50) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL8141710 0.85 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4RECQLTDP1
Benzene SCHEMBL27693496 0.85 TDP1 (0.47) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL187542 0.84 TDP1 (0.50) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL29805163 0.84 TDP1 (0.50) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL3621333 0.84 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851493-B Preparation method of 2,4, 5-trifluoro phenylacetic acid 台州臻挚生物科技有限公司 2022-09-06 — — CN claimed
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 claimed
CN-112851493-A Preparation method of 2,4, 5-trifluorophenylacetic acid 杭州臻挚生物科技有限公司 2021-05-28 — — CN claimed
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 — — US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
EP-4673141-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 — — EP disclosed
US-12497397-B2 Pyrrole compounds useful as antifungals Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2025-12-16 — — US disclosed
EP-4658658-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2025-12-10 — — EP disclosed
EP-4071137-B1 NOVEL PYRROLE COMPOUND WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2025-10-15 — — EP disclosed
EP-3590516-B1 ANTITUMOR-EFFECT ENHANCER USING PYRAZOLO[3,4-D]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2025-09-03 — — EP disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — US disclosed
EP-2178537-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2010-04-28 — — EP disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 — — WO disclosed
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 — — US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 — — US disclosed
WO-2009011836-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2009-01-22 — — WO disclosed
EP-1940825-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS Astra Zeneca AB (SE) 2008-07-09 — — EP disclosed
WO-2007034143-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2007-03-29 — — WO disclosed
EP-0342849-A2 Intermediates for preparing 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid esters PFIZER INC. (US) 1989-11-23 — — 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 (7 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-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 ALDH1A1 3966/4885TSHR 3205/4885CYP3A4 2822/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 ALDH1A1 3966/4885TSHR 3205/4885CYP3A4 2822/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 ALDH1A1 3672/4885TSHR 3071/4885CYP3A4 2841/4885
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 ALDH1A1 2014/4885TSHR 2110/4885CYP3A4 1210/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 ALDH1A1 2976/4885TSHR 1003/4885CYP3A4 2690/4885
US-12497397-B2 Pyrrole compounds useful as antifungals PYCR1, CYP51A1, DPM1 ALDH1A1 1752/4885TSHR 4578/4885CYP3A4 192/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885TSHR 3512/4885CYP3A4 49/4885

“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.