SCHEMBL3047704

SCHEMBL3047704

CN(CCCN(C)Cc1ccccc1)CC(O)=S

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
PRMT8 Q9NR22 1/20 0.53
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
LTA4H P09960 2/20 0.51
LMNA P02545 1/20 0.48
KDM4A O75164 2/20 0.47
KDM4C Q9H3R0 2/20 0.47
MGLL Q99685 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HTR7 P34969 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL3050138 0.97 SIGMAR1 (0.62) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL6207210 0.93 CARM1 (0.56) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL1088446 0.85 SIGMAR1 (0.74) SIGMAR1CARM1PRMT6PRMT8MAOB
Hydrochloric Acid SCHEMBL1087168 0.83 SIGMAR1 (0.71) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL12359495 0.80 SIGMAR1 (0.67) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL3046262 0.79 SIGMAR1 (0.40) SIGMAR1LTA4HLMNAMGLLCA12
SCHEMBL7225346 0.79 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL29733117 0.79 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL5744436 0.78 SIGMAR1 (0.65) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL15790823 0.78 SIGMAR1 (0.65) SIGMAR1CARM1PRMT6PRMT8MAOB

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 12 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-0979244-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-02-16 EP disclosed
WO-1998049193-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-11-05 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 1115/4885CARM1 806/4885PRMT6 1080/4885
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 SIGMAR1 1115/4885CARM1 806/4885PRMT6 1080/4885
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 SIGMAR1 787/4885CARM1 812/4885PRMT6 1280/4885

“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.