SCHEMBL20133830

SCHEMBL20133830

CCC(C)(C)S(=O)(=O)N(C)C[C@@H]1COCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
MET P08581 2/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
RET P07949 1/20 0.32
CYP3A4 P08684 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
CYP2C9 P11712 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
SCHEMBL15946939 0.86 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL15948910 0.78 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL1270845 0.76 CA2 (0.46) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL2447306 0.76 CA2 (0.46) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL1270429 0.73 PSEN1 (0.36) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL1270741 0.73 PSEN1 (0.36) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL18433328 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL18433486 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL18433329 0.71 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3PSEN1
SCHEMBL18433436 0.71 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 CHRM2 4606/4885CHRM4 4406/4885CHRM5 4154/4885

“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.