SCHEMBL6011920

SCHEMBL6011920

CS(=O)(=O)Cc1cccc(OCF)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.46
MGLL Q99685 1/20 0.40
NR1H3 Q13133 1/20 0.38
FFAR1 O14842 2/20 0.37
CCNT1 O60563 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAOB P27338 3/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL15461582 0.85 CYP3A4 (0.53) SPHK1LMNACA1CA2CA9
SCHEMBL13881585 0.83 SPHK1 (0.42) SPHK1MGLLNR1H3FFAR1CCNT1
SCHEMBL6011474 0.81 TAAR1 (0.53) MAOB
SCHEMBL16426095 0.79 FAAH (0.44) SPHK1NR1H3DRD2DRD3CA1
SCHEMBL2376739 0.79 MEP1B (0.48) SPHK1NR1H3FFAR1FFAR4HCRTR1
SCHEMBL2377600 0.79 CHRM2 (0.51) MAOBHCRTR1HCRTR2
SCHEMBL10289884 0.77 KDM4E (0.53) MAOB
SCHEMBL13715411 0.76 BCHE (0.42) MAOB
SCHEMBL19692979 0.76 ALDH1A1 (0.62) SPHK1LMNA
SCHEMBL19692980 0.76 ALDH1A1 (0.62) SPHK1LMNA

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-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 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 (4 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C SPHK1 3829/4885MGLL 3002/4885NR1H3 1522/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A SPHK1 3775/4885MGLL 2650/4885NR1H3 1621/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 SPHK1 3895/4885MGLL 4625/4885NR1H3 409/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 SPHK1 3203/4885MGLL 3154/4885NR1H3 621/4885

“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.