SCHEMBL6011891

SCHEMBL6011891

O=S(=O)(O)CCc1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
PNMT P11086 1/20 0.48
IDO1 P14902 2/20 0.43
AKR1B1 P15121 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.38
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
PTPRC P08575 1/20 0.37
PTPRG P23470 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2A13 Q16696 1/20 0.37
CYP1A2 P05177 1/20 0.36
GLA P06280 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
SCHEMBL8440842 0.83 CYP3A4 (0.35) TAAR1PTGES2MEN1KMT2ACYP3A4
SCHEMBL2907991 0.82 PNMT (0.54) TAAR1PNMTIDO1AKR1B1KDM4E
SCHEMBL28725897 0.82 AKR1B1 (0.43) TAAR1PNMTAKR1B1PTGES2
SCHEMBL4767876 0.81 TAAR1 (0.58) TAAR1PNMTIDO1AKR1B1KDM4E
SCHEMBL4013559 0.81 PNMT (0.52) TAAR1PNMTIDO1AKR1B1KDM4E
SCHEMBL4013563 0.81 PNMT (0.52) TAAR1PNMTIDO1AKR1B1KDM4E
SCHEMBL29001404 0.79 TAAR1 (0.48) TAAR1AKR1B1ALDH1A1SMN1; SMN2MEN1
SCHEMBL29924786 0.74 TAAR1 (0.63) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL2963562 0.74 TAAR1 (0.63) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL10690855 0.74 TAAR1 (0.63) TAAR1PNMTIDO1KDM4EALDH1A1

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 TAAR1 2608/4885PNMT 1967/4885IDO1 529/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A TAAR1 3047/4885PNMT 1664/4885IDO1 723/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 TAAR1 2844/4885PNMT 1287/4885IDO1 911/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 TAAR1 1531/4885PNMT 1942/4885IDO1 391/4885

“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.