SCHEMBL84587

SCHEMBL84587

O=S(=O)(Oc1cccc(Cl)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PTGS1 P23219 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PGR P06401 2/20 0.41
AR P10275 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40

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
SCHEMBL5178160 0.86 CA1 (0.56) CA1CA2CA9DRD2DRD1
SCHEMBL8479794 0.82 PDE4A (0.51) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL9562446 0.82 CA1 (0.45) PDE4APDE4CPDE4DPTGS1CA1
SCHEMBL27517450 0.82 ADORA2A (0.46) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL5177944 0.81 CA1 (0.50) CA1CA2CA9PGRAR
SCHEMBL17681373 0.81 CA1 (0.45) PTGS1CA1CA2CA9NFE2L2
SCHEMBL13416088 0.81 CA1 (0.45) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL8444519 0.80 ADORA2A (0.49) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL18133374 0.80 HSD11B1 (0.45) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL18532799 0.79 CA1 (0.48) CA1CA2CA9DRD2DRD1

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 46 patents — showing the first 20. 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
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
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR PDE4A 4569/4885PDE4C 4664/4885PDE4D 4570/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO PDE4A 2788/4885PDE4C 2237/4885PDE4D 2452/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 PDE4A 2796/4885PDE4C 2504/4885PDE4D 2631/4885
US-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 PDE4A 4754/4885PDE4C 4690/4885PDE4D 4831/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR PDE4A 4569/4885PDE4C 4664/4885PDE4D 4570/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR PDE4A 4569/4885PDE4C 4664/4885PDE4D 4570/4885

“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.