SCHEMBL5521244

SCHEMBL5521244

CC1OC(=O)CC2CCCCC21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 9/20 0.36
CHRM1 P11229 9/20 0.36
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
F2R P25116 4/20 0.34
CHRM4 P08173 6/20 0.32
CHRM3 P20309 6/20 0.32
CHRM5 P08912 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
SCHEMBL18220314 0.72 SMN1; SMN2 (0.35) SMN1; SMN2CHRM2CHRM1
SCHEMBL1457085 0.70 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA9
SCHEMBL27181489 0.70 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA9
SCHEMBL10594377 0.70 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA9
SCHEMBL20715361 0.70 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA9
SCHEMBL11462520 0.68 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL20715352 0.68 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL9813681 0.68 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL13219285 0.68 CA1 (0.38) CA1F2R
SCHEMBL12135426 0.68 SMN1; SMN2 (0.39) SMN1; SMN2

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
US-8173353-B2 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173353-B2 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20100248135-A1 SULFONIUM COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248135-A1 SULFONIUM COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 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-20100248135-A1 SULFONIUM COMPOUND PFAS, F12, AFF1 SMN1; SMN2 2326/4885CHRM2 1203/4885CHRM1 954/4885

“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.