SCHEMBL3326426

SCHEMBL3326426

O=S(=O)(Cl)c1ccc(F)c(-c2cocn2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.36
SCN9A Q15858 5/20 0.35
CCR9 P51686 1/20 0.34
TGFBR1 P36897 1/20 0.33
CASP6 P55212 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA2 P47869 4/20 0.31
PTGDR Q13258 1/20 0.30

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
SCHEMBL1033426 0.76 CCR9 (0.41) SCN9ACCR9ALDH1A1HSD17B10TDP1
SCHEMBL4194643 0.70 HRH3 (0.38) SCN9AALDH1A1
SCHEMBL68413 0.67 KMT2A (0.48) ALDH1A1HSD17B10TDP1
SCHEMBL25221627 0.65 KDM1A (0.48) ALDH1A1HSD17B10TDP1
SCHEMBL67606 0.64 SOS1 (0.50)
SCHEMBL10571424 0.64 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1
SCHEMBL29669107 0.64 CCR2 (0.45) HSD17B10
SCHEMBL8229086 0.64 SCN9A (0.46) F2RL1SCN9AALDH1A1
SCHEMBL67150 0.64 CCR2 (0.45) HSD17B10
SCHEMBL19584565 0.64 F2RL1 (0.45) F2RL1SCN9ACASP6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507469-B2 Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-08-13 US disclosed
US-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-06-03 US disclosed
CN-101679381-A Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2010-03-24 CN disclosed
EP-2155724-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-02-24 EP disclosed
WO-2008116833-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2008-10-02 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 (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-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR4, HTR3C F2RL1 1911/4885SCN9A 1327/4885CCR9 596/4885

“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.