SCHEMBL3296309

SCHEMBL3296309

COc1ccc(CS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CNR2 P34972 1/20 0.44
CRBN Q96SW2 1/20 0.42
LMNA P02545 2/20 0.41
CACNA1G O43497 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL3299776 0.76 AGTR2 (0.37) KMT2AMEN1LMNACACNA1GALDH1A1
SCHEMBL3297656 0.76 SMN1; SMN2 (0.36) CNR2LMNAPOLBSMN1; SMN2CYP19A1
SCHEMBL3297036 0.76 CYP3A4 (0.37) KMT2AMEN1LMNAMAPK1SMN1; SMN2
SCHEMBL3297963 0.76 CNR2 (0.44) KMT2AMEN1CNR2LMNACACNA1G
SCHEMBL3295045 0.74 FNTA (0.38) CYP19A1KCNH2SLC6A9
SCHEMBL7800441 0.74 FNTA (0.38) CYP19A1KCNH2SLC6A9
SCHEMBL7803339 0.74 CYP3A4 (0.35) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL3296307 0.74 CYP19A1 (0.42) KMT2AMEN1CNR2LMNACACNA1G
SCHEMBL3297281 0.73 SLC6A2 (0.38) KMT2AMEN1CNR2LMNAALDH1A1
SCHEMBL3295396 0.73 CNR1 (0.39) KMT2AMEN1CNR2LMNAMAPK1

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 KMT2A 2635/4885MEN1 3059/4885CNR2 59/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 KMT2A 2635/4885MEN1 3059/4885CNR2 59/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 KMT2A 2807/4885MEN1 1932/4885CNR2 554/4885

“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.