SCHEMBL6011833

SCHEMBL6011833

COc1ccc(CCSCCc2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
LTA4H P09960 1/20 0.54
MAOB P27338 2/20 0.53
CALM1 P0DP23 2/20 0.53
IDO1 P14902 1/20 0.52
AOC3 Q16853 2/20 0.52
SIGMAR1 Q99720 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
F2RL1 P55085 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50

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
SCHEMBL11157781 0.86 TAAR1 (0.59) TAAR1LTA4HMAOBCALM1IDO1
SCHEMBL19072185 0.84 TAAR1 (0.57) TAAR1LTA4HMAOBCALM1IDO1
SCHEMBL770505 0.84 CALM1 (0.45) TAAR1LTA4HMAOBCALM1AOC3
SCHEMBL17354072 0.84 CALM1 (0.45) TAAR1LTA4HMAOBCALM1AOC3
SCHEMBL769798 0.83 CALM1 (0.44) TAAR1LTA4HMAOBCALM1SIGMAR1
SCHEMBL834551 0.83 TAAR1 (0.73) TAAR1LTA4HMAOBCALM1IDO1
SCHEMBL22101172 0.83 TAAR1 (0.61) TAAR1LTA4HMAOBCALM1IDO1
SCHEMBL18400708 0.83 TAAR1 (0.55) TAAR1LTA4HMAOBCALM1IDO1
SCHEMBL769794 0.80 CALM1 (0.45) TAAR1CALM1KDM4EALDH1A1F2RL1
SCHEMBL11248142 0.79 HTT (0.47) TAAR1LTA4HSIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945964-A Synthesis method of aryl alkyl asymmetric thioether 中国人民解放军军事科学院防化研究院 2024-04-30 CN disclosed
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 2608/4885LTA4H 1839/4885MAOB 47/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A TAAR1 3047/4885LTA4H 1614/4885MAOB 34/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 TAAR1 2844/4885LTA4H 2942/4885MAOB 122/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 TAAR1 1531/4885LTA4H 1380/4885MAOB 123/4885

“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.