Sugi Predict

Sugi Predict / Compounds / SCHEMBL3582116

SCHEMBL3582116

SCHEMBL3582116

NS(=O)(=O)N=C1NC[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CETP P11597 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ AR P10275 1/20 0.32
▸ ESR2 Q92731 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
SCHEMBL13168086 1.00 L3MBTL1 (0.35) L3MBTL1CHRNA7CETPHTTMEN1
SCHEMBL3582118 1.00 L3MBTL1 (0.35) L3MBTL1CHRNA7CETPHTTMEN1
SCHEMBL3591652 0.91 HTT (0.36) L3MBTL1CETPHTTMEN1CYP1A2
SCHEMBL3591649 0.91 HTT (0.36) L3MBTL1CETPHTTMEN1CYP1A2
SCHEMBL3591654 0.91 HTT (0.36) L3MBTL1CETPHTTMEN1CYP1A2
SCHEMBL4447056 0.91 HTT (0.36) L3MBTL1CETPHTTMEN1CYP1A2
SCHEMBL13185896 0.86 ALDH1A1 (0.31) LMNA
SCHEMBL3592408 0.86 CETP (0.39) CETPHTTMEN1CYP1A2CYP3A4
SCHEMBL3592410 0.86 CETP (0.39) CETPHTTMEN1CYP1A2CYP3A4
SCHEMBL3585595 0.86 HTT (0.38) CETPHTTMEN1CYP1A2CYP3A4

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-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 — — 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 L3MBTL1 4596/4885CHRNA7 366/4885CETP 779/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH L3MBTL1 4596/4885CHRNA7 366/4885CETP 779/4885

“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.