SCHEMBL6314155

SCHEMBL6314155

Fc1cc(Cl)ccc1-c1cc(OC(F)F)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.38
ALPL P05186 11/20 0.38
GRM2 Q14416 4/20 0.36
CYP2C9 P11712 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
ALPG P10696 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL6312493 0.87 ALPL (0.50) ALPLALPGMAPK1KMT2A
SCHEMBL21775851 0.74 KMO (0.42) KMOALPLGRM2EGLN2ALPG
SCHEMBL6312767 0.74 KMO (0.46) KMOALPLALPGMAPTNPSR1
SCHEMBL6320670 0.72 KMO (0.36) KMOGRM2CYP2C9EGLN2
SCHEMBL3846744 0.70 KMO (0.44) KMOALPLGRM2CYP2C9EGLN2
SCHEMBL6295365 0.66 HSD11B1 (0.36) CYP2C9EGLN2KMT2A
SCHEMBL23638850 0.66 S100A4 (0.46) KMOGRM2EGLN2
SCHEMBL30598347 0.66 S100A4 (0.46) KMOGRM2EGLN2
SCHEMBL7505658 0.64 HSD11B1 (0.34) CYP2C9EGLN2KMT2A
SCHEMBL9051722 0.64 MAPT (0.49) ALPLMAPTNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219953-A1 SULFONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-13 US disclosed
EP-4168392-A1 SULFONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-26 EP disclosed
WO-2021259831-A1 SULFONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-30 WO disclosed
CN-102863512-B Antiviral compound PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2016-04-20 CN disclosed
CN-102863512-A Novel antiviral compound SHANGHAI HONGBO ZHIYUAN MEDICAL TECHNOLOGY CO LTD 2013-01-09 CN disclosed
CN-1993124-A Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO INC (US) 2007-07-04 CN disclosed
CN-1964947-A Pyrazole derivatives, compositions containing the same and methods of use thereof MERCK & CO INC (US) 2007-05-16 CN disclosed
US-6897322-B2 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-1H-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-24 US disclosed
US-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2004-03-25 US disclosed
EP-1358164-A1 METHOD OF PRODUCING 1-ALKYL-3-ARYL-5-DIFLUOROMETHOXY-1H-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
WO-2002055504-A1 METHOD OF PRODUCING 1-ALKYL-3-ARYL-5-DIFLUOROMETHOXY-1H-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-07-18 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 (2 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-20230219953-A1 SULFONE DERIVATIVES SULT1E1, SULT1A1, SULT2A1 KMO 4097/4885ALPL 3058/4885GRM2 2749/4885
US-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles CYP2E1, CYP2F1, CYP1A1 KMO 127/4885ALPL 2813/4885GRM2 2744/4885

“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.