SCHEMBL2006117

SCHEMBL2006117

CN(C)P(OCCC#N)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL9662673 0.81 ALDH1A1 (0.32) ALDH1A1TDP1NLRP3
SCHEMBL15218690 0.79 ALDH1A1 (0.30) ALDH1A1TDP1NLRP3
SCHEMBL20654854 0.79 TSHR (0.31) NLRP3
SCHEMBL1061645 0.77
SCHEMBL2006419 0.77 TSHR (0.32)
SCHEMBL9662674 0.77 CASP1 (0.32)
SCHEMBL204034 0.76 TSHR (0.32) NLRP3
SCHEMBL10169834 0.74
SCHEMBL20211370 0.74 TSHR (0.31) NLRP3
Ammonia Solution, Strong SCHEMBL21828798 0.74 TSHR (0.31) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4756863-B2 2011-08-24 JP claimed
US-7247720-B2 Phosphitylation process AVECIA BIOTECHNOLOGY INC. (US) 2007-07-24 US claimed
EP-1554300-B1 PHOSPHITYLATION PROCESS AVECIA BIOTECHNOLOGY INC (US) 2007-05-23 EP claimed
US-20060069247-A1 Phosphitylation process AVECIA BIOTECHNOLOGY INC. (US) 2006-03-30 US claimed
EP-1554300-A1 PHOSPHITYLATION PROCESS Avecia Biotechnology, Inc. (US) 2005-07-20 EP claimed
WO-2004035599-A1 PHOSPHITYLATION PROCESS AVECIA BIOTECHNOLOGY INC. (US) 2004-04-29 WO claimed
US-20170015652-A1 Coumarin-based compounds and related methods BIOSEARCH TECHNOLOGIES, INC. 2017-01-19 US disclosed
EP-1590361-B1 PROCESS FOR PURIFYING OLIGONUCLEOTIDE SYNTHONS NITTO DENKO AVECIA INC (US) 2015-03-04 EP disclosed
US-7960542-B2 Process for purifying oligonucleotide synthons AVECIA BIOTECHNOLOGY, INC. (US) 2011-06-14 US disclosed
EP-1575965-B1 PROCESS FOR THE PREPARATION OF PHOSPHITYLATION AGENTS AVECIA BIOTECHNOLOGY INC (US) 2011-06-01 EP disclosed
US-7560555-B2 Process for the preparation of phosphitylation agents AVECIA BIOTECHNOLOGY INC. (US) 2009-07-14 US disclosed
US-7247720-B2 Phosphitylation process AVECIA BIOTECHNOLOGY INC. (US) 2007-07-24 US disclosed
EP-1554300-B1 PHOSPHITYLATION PROCESS AVECIA BIOTECHNOLOGY INC (US) 2007-05-23 EP disclosed
US-20060173187-A1 Process for the preparation of phosphitylation agents NITTO DENKO AVECIA, INC. 2006-08-03 US disclosed
US-20060135760-A1 Process for purifying oligonucleotide synthons NITTO DENKO AVECIA, INC. 2006-06-22 US disclosed
US-20060069247-A1 Phosphitylation process AVECIA BIOTECHNOLOGY INC. (US) 2006-03-30 US disclosed
EP-1575965-A1 PROCESS FOR THE PREPARATION OF PHOSPHITYLATION AGENTS Avecia Limited (GB) 2005-09-21 EP disclosed
EP-1554300-A1 PHOSPHITYLATION PROCESS Avecia Biotechnology, Inc. (US) 2005-07-20 EP disclosed
WO-2004055030-A1 PROCESS FOR THE PREPARATION OF PHOSPHITYLATION AGENTS AVECIA LIMITED (GB) 2004-07-01 WO disclosed
WO-2004035599-A1 PHOSPHITYLATION PROCESS AVECIA BIOTECHNOLOGY INC. (US) 2004-04-29 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-20060135760-A1 Process for purifying oligonucleotide synthons NUDT1, POLN, POLRMT ALDH1A1 4643/4885TDP1 1684/4885NLRP3 4231/4885
US-20170015652-A1 Coumarin-based compounds and related methods HCCS, FBL, COIL ALDH1A1 990/4885TDP1 958/4885NLRP3 2313/4885
US-20060069247-A1 Phosphitylation process PHOSPHO1, MTAP, PNP ALDH1A1 2571/4885TDP1 919/4885NLRP3 4828/4885

“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.