SCHEMBL3048312

SCHEMBL3048312

CN(CCCNCc1ccccc1)CC(O)=S

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
TMEM97 Q5BJF2 1/20 0.58
MAOA P21397 1/20 0.51
CHRM2 P08172 1/20 0.50
LTA4H P09960 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
MPO P05164 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
SCN8A Q9UQD0 1/20 0.42

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
SCHEMBL3050143 0.95 MAOA (0.54) SIGMAR1TMEM97MAOACHRM2LTA4H
SCHEMBL3051170 0.91 KMT2A (0.50) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL30090684 0.85 SIGMAR1 (0.69) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL1443953 0.79 MAOA (0.64) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL3051182 0.78 ALDH1A1 (0.50) SIGMAR1TMEM97LTA4HKMT2A
SCHEMBL3047704 0.78 SIGMAR1 (0.57) SIGMAR1TMEM97MAOALTA4H
SCHEMBL3050138 0.78 SIGMAR1 (0.62) SIGMAR1MAOALTA4HMEN1KMT2A
Hydrochloric Acid SCHEMBL21493579 0.77 MAOA (0.62) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL10941196 0.76 SIGMAR1 (0.66) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL16151778 0.76 CHRM2 (0.63) SIGMAR1TMEM97MAOACHRM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2001-09-27 US claimed
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES VISKOV CHRISTIAN 2010-07-08 US disclosed
US-7678766-B2 Process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2010-03-16 US disclosed
EP-1098903-B1 METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES AVENTIS PHARMA SA (FR) 2008-09-03 EP disclosed
US-20070213260-A1 Novel process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. 2007-09-13 US disclosed
US-7226905-B2 Process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2007-06-05 US disclosed
EP-0979244-B1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-02 EP disclosed
EP-1040121-B1 NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES AVENTIS PHARMA (FR) 2004-07-21 EP disclosed
EP-0948527-B1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2002-06-05 EP disclosed
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2001-09-27 US disclosed
EP-1098903-A1 NOVEL METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES Aventis Pharma S.A. (FR) 2001-05-16 EP disclosed
WO-1999067280-A1 NOVEL METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES AVENTIS PHARMA S.A. (FR) 1999-12-29 WO disclosed
EP-0951474-A1 NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-27 EP disclosed
WO-1998028330-A1 NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-07-02 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-20070213260-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 SIGMAR1 1115/4885TMEM97 767/4885MAOA 2810/4885
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 SIGMAR1 1115/4885TMEM97 767/4885MAOA 2810/4885
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 SIGMAR1 787/4885TMEM97 518/4885MAOA 3113/4885

“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.