Sugi Predict

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SCHEMBL5080125

SCHEMBL5080125

O=C(OC1C(=O)N(O)C(=O)C1OC(=O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.43
▸ CHRM4 P08173 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ ELANE P08246 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MIF P14174 1/20 0.33

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
SCHEMBL5083681 0.98 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL3678849 0.78 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL3681502 0.76 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL24595803 0.69 EPHX1 (0.48) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL16784670 0.69 CES2 (0.48) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL2678468 0.69 EPHX1 (0.48) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL17061159 0.69 EPHX1 (0.48) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL17061158 0.69 EPHX1 (0.48) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL11038809 0.69 EPHX1 (0.48) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL5953668 0.69 EPHX1 (0.48) CHRM2CHRM4CHRM1CHRM3SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368615-B2 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-06 — — US disclosed
US-20060036100-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst ISHII YASUTAKA 2006-02-16 — — US disclosed
US-6998491-B2 Catalyst comprising a cyclic imide compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-02-14 — — US disclosed
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-12 — — US disclosed
EP-1238704-A2 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst Daicel Chemical Industries, Ltd. (JP) 2002-09-11 — — EP 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-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, POR, NOX1 CHRM2 2699/4885CHRM4 1591/4885CHRM1 1680/4885
US-20060036100-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, NOX1, POR CHRM2 1936/4885CHRM4 1177/4885CHRM1 925/4885

“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.