SCHEMBL3591022

SCHEMBL3591022

O=S(=O)(F)c1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.52
PKLR P30613 3/20 0.52
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
IKBKB O14920 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
KEAP1 Q14145 1/20 0.37
BCHE P06276 1/20 0.36
LMNA P02545 2/20 0.35
NFE2L2 Q16236 2/20 0.34
PSIP1 O75475 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGES2 Q9H7Z7 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
SCHEMBL31618133 0.84 PKM (0.44) PKMPKLRCES2CES1IKBKB
SCHEMBL2021516 0.77 PKM (0.44) PKMPKLRCES2CES1IKBKB
SCHEMBL4139118 0.76 PKM (0.50) PKMPKLRCES2CES1IKBKB
SCHEMBL29141548 0.76 CA1 (0.41) PKMPKLRCES2CES1BCHE
SCHEMBL677588 0.76 CA1 (0.52) PKMPKLRPTGES2
SCHEMBL532887 0.76 PKM (0.50) PKMPKLRCES2CES1IKBKB
SCHEMBL795356 0.76 PKM (0.50) PKMPKLRCES2CES1IKBKB
SCHEMBL6038889 0.76 PKM (0.50) PKMPKLRCES2CES1IKBKB
SCHEMBL3926685 0.74 PKM (0.48) PKMPKLRCES2CES1IKBKB
SCHEMBL3926679 0.74 PKM (0.48) PKMPKLRCES2CES1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279889-B Substituted fluorosulfates and uses thereof 深圳湾实验室 2025-04-25 CN disclosed
CN-117279889-A Substituted fluorosulfates and uses thereof 深圳湾实验室 2023-12-22 CN disclosed
US-7718702-B2 Sulfonamide-containing benzene derivatives; cancer and inflammatory, immunomodulatory or respiratory diseases SCHERING CORPORATION (US) 2010-05-18 US disclosed
US-7507767-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2009-03-24 US disclosed
US-7067539-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2006-06-27 US disclosed
US-20060009528-A1 Cannabinoid receptor ligands SCHERING CORPORATION 2006-01-12 US disclosed
EP-1539662-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-06-15 EP disclosed
WO-2004014825-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-02-19 WO disclosed
US-20030232859-A1 Cannabinoid receptor ligands SCHERING CORPORATION 2003-12-18 US disclosed
EP-1368308-A1 CANNABINOID RECEPTOR LIGANDS Schering Corporation (US) 2003-12-10 EP disclosed
WO-2002062750-A9 CANNABINOID RECEPTOR LIGANDS SCHERING CORP (US) 2003-09-18 WO disclosed
US-20030096844-A1 Sulfonamide-containing benzene derivatives which exhibit anti-inflammatory and immunodulatory activity SCHERING CORPORATION 2003-05-22 US disclosed
WO-2002062750-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2002-08-15 WO disclosed
US-4369145-A Preparation of fluorobenzenesulfonyl fluorides by exchange fluorination RHONE-POULENC INDUSTRIES (FR) 1983-01-18 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-20060009528-A1 Cannabinoid receptor ligands CNR1, CNR2, GPR18 PKM 4291/4885PKLR 2687/4885CES2 741/4885
US-20030096844-A1 Sulfonamide-containing benzene derivatives which exhibit anti-inflammatory and immunodulatory activity SULT2A1, NFKBIA, SULT1A1 PKM 4210/4885PKLR 2825/4885CES2 912/4885
US-20030232859-A1 Cannabinoid receptor ligands CNR1, CNR2, GPR18 PKM 4463/4885PKLR 3154/4885CES2 1000/4885

“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.