SCHEMBL6011579

SCHEMBL6011579

CC(C)(C)[SiH2]OCc1cccc(CS(C)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
MTOR P42345 1/20 0.33
CCNT1 O60563 4/20 0.33
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
CDK9 P50750 4/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CYP19A1 P11511 1/20 0.33
NEK2 P51955 1/20 0.32
NR1H3 Q13133 1/20 0.30
IDO1 P14902 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL15687584 0.76 PTPN1 (0.40) PTPN1SPHK1MTORCCNT1CCNE1
SCHEMBL3297060 0.75 MTOR (0.35) PTPN1SPHK1MTORCCNT1CCNE1
SCHEMBL705889 0.73 TSHR (0.46) IDO1
SCHEMBL22280176 0.71 MGLL (0.42) FFAR1FFAR4CYP19A1
SCHEMBL14204619 0.70 HDAC4 (0.42) FFAR1FFAR4
SCHEMBL3294256 0.70 ENPP2 (0.42) SPHK1MTORPTGDR2FFAR1FFAR4
SCHEMBL22280175 0.70 TRPA1 (0.39) PTPN1SPHK1PTGDR2FFAR1FFAR4
SCHEMBL1577595 0.70 ENPP2 (0.50) CYP19A1
SCHEMBL29650395 0.70 ENPP2 (0.50) CYP19A1
SCHEMBL589307 0.68 MAOB (0.50) CYP19A1

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 9 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
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP 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
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO 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 PTPN1 2114/4885SPHK1 3829/4885MTOR 3050/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A PTPN1 2174/4885SPHK1 3775/4885MTOR 2960/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 PTPN1 1842/4885SPHK1 3895/4885MTOR 1817/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 PTPN1 4156/4885SPHK1 3203/4885MTOR 3416/4885

“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.