SCHEMBL10222790

SCHEMBL10222790

[N-]=[N+]=NS(=O)(=O)CCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 3/20 0.55
▸ PRMT6 Q96LA8 3/20 0.53
▸ CARM1 Q86X55 2/20 0.53
▸ PRMT3 O60678 1/20 0.53
▸ PRMT1 Q99873 1/20 0.53
▸ PRMT8 Q9NR22 1/20 0.53
▸ GRIN2B Q13224 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.51
▸ GRIN2A Q12879 1/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48

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
SCHEMBL8248176 0.79 CCR3 (0.63) CCR3PRMT6CARM1PRMT3PRMT1
SCHEMBL13588754 0.75 CCR3 (0.58) CCR3PRMT6CARM1PRMT3PRMT1
SCHEMBL918100 0.74 CCR3 (0.63) CCR3PRMT6CARM1PRMT3PRMT1
SCHEMBL5505080 0.72 GRIN2B (0.59) CCR3PRMT6CARM1PRMT3PRMT1
SCHEMBL7395591 0.72 CCR3 (0.55) CCR3PRMT6CARM1PRMT3PRMT1
SCHEMBL26213680 0.72 PRMT6 (0.50) CCR3PRMT6CARM1PRMT3PRMT1
SCHEMBL7403790 0.72 CCR3 (1.00) CCR3PRMT6CARM1PRMT3PRMT1
SCHEMBL7403436 0.72 CCR3 (0.75) CCR3PRMT6CARM1PRMT3PRMT1
Hydrochloric Acid SCHEMBL5974096 0.72 GRIN2B (0.58) CCR3PRMT6CARM1PRMT3PRMT1
SCHEMBL543919 0.70 PRMT6 (1.00) CCR3PRMT6CARM1PRMT3PRMT1

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-20160116482-A1 Target Binding Molecules Identified by Kinetic Target-Guided Synthesis THE PENN STATE RESEARCH FOUNDATION (US) 2016-04-28 — — US disclosed
US-20160116482-A1 Target Binding Molecules Identified by Kinetic Target-Guided Synthesis THE PENN STATE RESEARCH FOUNDATION (US) 2016-04-28 — — US disclosed
US-20130203709-A1 ACYLSULFONAMIDES AND PROCESSES FOR PRODUCING THE SAME THE PENN STATE RESEARCH FOUNDATION (US) 2013-08-08 — — US disclosed
US-20130203709-A1 ACYLSULFONAMIDES AND PROCESSES FOR PRODUCING THE SAME THE PENN STATE RESEARCH FOUNDATION (US) 2013-08-08 — — US disclosed
WO-2012021486-A2 ACYLSULFONAMIDES AND PROCESSES FOR PRODUCING THE SAME UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-16 — — 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-20160116482-A1 Target Binding Molecules Identified by Kinetic Target-Guided Synthesis MCL1, BCL2L1, BCL2L2 CCR3 4739/4885PRMT6 3819/4885CARM1 4408/4885
US-20130203709-A1 ACYLSULFONAMIDES AND PROCESSES FOR PRODUCING THE SAME BCL2, BCL2L2, BCL6 CCR3 4849/4885PRMT6 1856/4885CARM1 4204/4885

“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.

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