SCHEMBL3046263

SCHEMBL3046263

CCNCCCCN(C)CC(O)=S

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
KDM1A O60341 5/20 0.35
SAT1 P21673 2/20 0.32
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL3046817 0.94 CYP2C19 (0.39) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL3052525 0.86 CYP2C19 (0.32) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL3054596 0.81 KDM4A (0.35) KDM4C
SCHEMBL3046259 0.80 POLB (0.32)
SCHEMBL3051346 0.78 KDM5A (0.42) KDM5AKDM4C
SCHEMBL3054075 0.76
SCHEMBL3050143 0.76 MAOA (0.54) MEN1KMT2A
SCHEMBL8023238 0.76 ALDH1A1 (0.41) KDM5AKDM4C
SCHEMBL16789969 0.76 CYP2C19 (0.52) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL3046172 0.76 ALDH1A1 (0.46) TSHRKDM5AKDM4C

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-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

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 CYP2C19 1573/4885CYP1A2 1898/4885MEN1 544/4885
US-20010025025-A1 Novel process for the preparation of cyclosporin derivatives MGMT, MALT1, TET2 CYP2C19 1573/4885CYP1A2 1898/4885MEN1 544/4885
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 CYP2C19 1798/4885CYP1A2 1932/4885MEN1 510/4885

“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.