SCHEMBL29813636

SCHEMBL29813636

O=S(=O)(NCl)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.46
NLRP3 Q96P20 2/20 0.40
SGK1 O00141 1/20 0.40
CYP3A4 P08684 1/20 0.34
POLB P06746 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL29813806 0.78 CCR2 (0.43) CCR2NLRP3SGK1POLBALDH1A1
SCHEMBL8227599 0.78 CCR2 (0.46) CCR2NLRP3SGK1ALDH1A1TSHR
SCHEMBL13485838 0.78 CA2 (0.45) CCR2NLRP3SGK1POLBALDH1A1
SCHEMBL3942582 0.75 CCR2 (0.41) CCR2NLRP3SGK1POLBALDH1A1
SCHEMBL18456 0.75
SCHEMBL9063607 0.75 CCR2 (0.39) CCR2NLRP3POLBALDH1A1TDP1
SCHEMBL31506894 0.74 ALDH1A1 (0.39) CCR2NLRP3POLBALDH1A1TSHR
SCHEMBL22928020 0.74 CCR2 (0.47) CCR2NLRP3CYP3A4POLBALDH1A1
SCHEMBL8062374 0.74 NLRP3 (0.50) CCR2NLRP3POLBALDH1A1TDP1
SCHEMBL13956520 0.74 CCR2 (0.43) CCR2NLRP3SGK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022164624-A1 ORGANIC ACYL HALOSULFONAMIDE BIOCIDE COMPOSITIONS AND METHODS OF MAKING AND USING THE COMPOSITIONS TRUOX, INC. (US) 2022-08-04 WO disclosed
US-20220240506-A1 ORGANIC ACYL HALOSULFONAMIDE BIOCIDE COMPOSITIONS AND METHODS OF MAKING AND USING THE COMPOSITIONS TRUOX, INC. (US) 2022-08-04 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 (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-20220240506-A1 ORGANIC ACYL HALOSULFONAMIDE BIOCIDE COMPOSITIONS AND METHODS OF MAKING AND USING THE COMPOSITIONS ABHD10, MBOAT7, PORCN CCR2 3320/4885NLRP3 4216/4885SGK1 3152/4885

“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.