SCHEMBL8007159

SCHEMBL8007159

CC(C)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.43
CXCR1 P25024 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TYR P14679 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CA5A P35218 1/20 0.42
HTT P42858 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
Hydrogen Peroxide SCHEMBL11143418 0.98 CXCR2 (0.46) CXCR2CXCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1821733 0.84 PTGS1 (0.61) CXCR2CXCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL26452905 0.83 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HDAC4HDAC8
SCHEMBL28796600 0.82 CXCR2 (0.44) CXCR2CXCR1CA1CA2DRD2
SCHEMBL5178160 0.82 CA1 (0.56) CXCR2CA1CA2CA9DRD2
SCHEMBL1820336 0.81 PTGS1 (0.53) CXCR2CXCR1ALDH1A1SMN1; SMN2HTT
SCHEMBL10172546 0.79 CA2 (0.66) KDM4ECA1CA2CA9TSHR
SCHEMBL16172609 0.79 CXCR2 (0.59) CXCR2CXCR1ALDH1A1CA1CA2
SCHEMBL167959 0.77 PPARG (0.54) ALDH1A1CA1CA2CA9HTT
SCHEMBL451684 0.77 STS (0.47) ALDH1A1CA1CA2CA9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP disclosed
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 CN disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed
CN-1062555-C Substituted benzyloxy carbonyl guanidine, its prepn. method, and application of the same as medicament and medicament containing the same HOECHST AG (DE) 2001-02-28 CN disclosed
EP-0748795-B1 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AG (DE) 2000-08-23 EP disclosed
US-6022899-A EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed
CN-1145360-A Substituted benzyloxy carbonyl guanidine, its prepn. method, and application of the same as medicament and medicament containing the same HOECHST AG (DE) 1997-03-19 CN disclosed
EP-0748795-A2 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed
US-4424382-A Superacid catalyzed preparation of resorcinol from meta-isopropylepheol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1984-01-03 US disclosed
US-4423254-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1983-12-27 US disclosed
US-4339614-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-07-13 US 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CXCR2 4458/4885CXCR1 3889/4885KDM4E 626/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CXCR2 4458/4885CXCR1 3889/4885KDM4E 626/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CXCR2 4458/4885CXCR1 3889/4885KDM4E 626/4885

“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.