SCHEMBL1824250

SCHEMBL1824250

CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.82
MRGPRX1 Q96LB2 6/20 0.43
TSPO P30536 2/20 0.43
HRH1 P35367 1/20 0.42
MAPK14 Q16539 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL872123 1.00 TLR4 (0.82) TLR4MRGPRX1TSPOHRH1MAPK14
SCHEMBL872084 0.97 TLR4 (0.82) TLR4MRGPRX1TSPOHRH1MAPK14
SCHEMBL871895 0.94 TLR4 (0.81) TLR4MRGPRX1TSPOHRH1MAPK14
SCHEMBL871637 0.92 TLR4 (0.70) TLR4MRGPRX1TSPOHRH1MAPK14
SCHEMBL871496 0.92 TLR4 (0.82) TLR4MRGPRX1TSPOHRH1
SCHEMBL871281 0.92 TLR4 (0.79) TLR4MRGPRX1TSPOHRH1
SCHEMBL871428 0.92 TLR4 (0.82) TLR4MRGPRX1TSPOHRH1
SCHEMBL872544 0.90 TLR4 (0.68) TLR4MRGPRX1TSPOHRH1MAPK14
Resatorvid SCHEMBL1821271 0.90 TLR4 (1.00) TLR4MRGPRX1TSPOHRH1
SCHEMBL872569 0.90 TLR4 (0.79) TLR4MRGPRX1TSPOHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334966-B1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE SULFONAMIDES AND INTERMEDIATES FOR THEIR SYNTHESIS TAKEDA PHARMACEUTICAL (JP) 2011-05-04 EP disclosed
US-6982344-B2 Process for preparation of optically active sulfonamides and intermediates for their synthesis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040049041-A1 Process for preparation of optically active sulfonamides and intermediates for their synthesis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1334966-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE SULFONAMIDES AND INTERMEDIATES FOR THEIR SYNTHESIS Takeda Chemical Industries, Ltd. (JP) 2003-08-13 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 (1 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-20040049041-A1 Process for preparation of optically active sulfonamides and intermediates for their synthesis STS, ARSA, SULT1A1 TLR4 4118/4885MRGPRX1 2708/4885TSPO 4365/4885

“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.