SCHEMBL3294245

SCHEMBL3294245

O=S(=O)(C=C1CN(C(c2cccs2)c2cccs2)C1)Cc1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 3/20 0.32
NTRK1 P04629 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL6899728 0.90 TDP1 (0.35) ALDH1A1TSHRSMN1; SMN2NPSR1HTT
SCHEMBL6647473 0.90 TDP1 (0.35) ALDH1A1TSHRSMN1; SMN2NPSR1HTT
SCHEMBL6646348 0.90 TDP1 (0.35) ALDH1A1TSHRSMN1; SMN2NPSR1HTT
SCHEMBL3294337 0.80 OPRM1 (0.35) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL7128894 0.78 CACNA1A (0.36)
SCHEMBL4029679 0.78 GPX4 (0.35) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL3295177 0.75 ALDH1A1 (0.34) ALDH1A1TSHRSMN1; SMN2NPSR1HTT
SCHEMBL6671789 0.74 MEN1 (0.43) MEN1KMT2A
SCHEMBL3299155 0.73 GPX4 (0.34) ALDH1A1NPSR1LMNA
SCHEMBL3298446 0.73 GPX4 (0.34) ALDH1A1NPSR1LMNA

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-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 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 (3 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 ALDH1A1 193/4885TSHR 560/4885SMN1; SMN2 2065/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 ALDH1A1 193/4885TSHR 560/4885SMN1; SMN2 2065/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 ALDH1A1 629/4885TSHR 410/4885SMN1; SMN2 706/4885

“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.