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Sugi Predict / Compounds / SCHEMBL3590951

SCHEMBL3590951

SCHEMBL3590951

O=C1N(CCS(=O)(=O)N2CCOCC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.37
▸ CETP P11597 4/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ LTA4H P09960 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL3590947 1.00 TRPV4 (0.37) TRPV4CETPPIK3C3MMP2MMP3
SCHEMBL3587643 0.95 CETP (0.40) TRPV4CETPPIK3C3HDAC1HDAC8
SCHEMBL3587649 0.95 CETP (0.40) TRPV4CETPPIK3C3HDAC1HDAC8
SCHEMBL3589829 0.93 CETP (0.39) CETPMMP2MMP9SCN9ALMNA
SCHEMBL3589826 0.93 CETP (0.39) CETPMMP2MMP9SCN9ALMNA
SCHEMBL3600472 0.92 CETP (0.38) CETPSCN9ALMNAMAPTHTT
SCHEMBL3600468 0.92 CETP (0.38) CETPSCN9ALMNAMAPTHTT
SCHEMBL3589360 0.91 TRPV4 (0.37) TRPV4CETPSCN9ALMNAMAPT
SCHEMBL3589357 0.91 TRPV4 (0.37) TRPV4CETPSCN9ALMNAMAPT
SCHEMBL3593742 0.89 P2RX7 (0.40) CETPMMP2MMP3MMP9MMP13

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 6 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-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 TRPV4 251/4885CETP 779/4885PIK3C3 1516/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TRPV4 251/4885CETP 779/4885PIK3C3 1516/4885

“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.