Sugi Predict

Sugi Predict / Compounds / SCHEMBL3593306

SCHEMBL3593306

SCHEMBL3593306

O=C1N(CCS(=O)(=O)N2CCOCC2)CC(c2cccc(OCCO)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ FKBP1A P62942 1/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ MAPT P10636 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL3592204 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ETP53TSHREPHX2
SCHEMBL3588089 0.93 CYP2D6 (0.34) DRD2DRD4DRD3CYP2D6KMT2A
SCHEMBL3588097 0.93 CYP2D6 (0.34) DRD2DRD4DRD3CYP2D6KMT2A
SCHEMBL3594663 0.91 L3MBTL1 (0.35) TP53L3MBTL1MDM2DRD2DRD3
SCHEMBL3594666 0.91 L3MBTL1 (0.35) TP53L3MBTL1MDM2DRD2DRD3
SCHEMBL3585788 0.86 CA12 (0.35) TP53MDM2DRD2DRD4DRD3
SCHEMBL3582533 0.86 CA1 (0.37) KDM4EDRD2DRD4DRD3CYP2D6
SCHEMBL3582530 0.86 CA1 (0.37) KDM4EDRD2DRD4DRD3CYP2D6
SCHEMBL3585785 0.86 CA12 (0.35) TP53MDM2DRD2DRD4DRD3
SCHEMBL3589752 0.83 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPTKMT2ACNR1

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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 — — US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 — — US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 — — US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 — — US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 — — 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 (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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885KDM4E 1763/4885TP53 4640/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885KDM4E 1763/4885TP53 4640/4885

“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.