SCHEMBL10050109

SCHEMBL10050109

CCCNC(=O)OCCOC

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.64
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL16544803 0.94 ACHE (0.58) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17550827 0.89 ACHE (0.59) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14201320 0.88 ACHE (0.85) ACHE
Ammonia Solution, Strong SCHEMBL9998424 0.85 ACHE (0.55) ACHEMEN1KMT2AALDH1A1
SCHEMBL28158857 0.85 ACHE (0.72) ACHE
SCHEMBL5700191 0.85 ACHE (0.65) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11989433 0.83 ACHE (0.76) ACHE
SCHEMBL15132643 0.83 ACHE (0.76) ACHE
SCHEMBL16526224 0.83 ACHE (0.76) ACHE
SCHEMBL11378769 0.83 ACHE (0.64) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9187546-B2 Compositions and methods for the preparation of protease resistant human growth hormone glycosylation mutants NOVO NORDISK A/S (DK) 2015-11-17 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules AFFYMAX, INC. (US) 2012-06-28 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 US disclosed
US-20090124544-A1 COMPOSITIONS AND METHODS FOR THE PREPARATION OF PROTEASE RESISTANT HUMAN GROWTH HORMONE GLYCOSYLATION MUTANTS NEOSE TECHNOLOGIES ,INC. A DELAWARE CORPORATION 2009-05-14 US disclosed
US-7270928-B2 Isocyanate composition, microcapsule and production method thereof, and recording material FUJIFILM CORPORATION (JP) 2007-09-18 US disclosed
US-7270928-B2 Isocyanate composition, microcapsule and production method thereof, and recording material FUJIFILM CORPORATION (JP) 2007-09-18 US 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 (4 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK ACHE 1495/4885CHRNB2 3012/4885CHRNB4 3294/4885
US-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules DNPEP, NGLY1, LNPEP ACHE 1849/4885CHRNB2 3406/4885CHRNB4 3410/4885
US-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 ACHE 3387/4885CHRNB2 4721/4885CHRNB4 4261/4885
US-20090124544-A1 COMPOSITIONS AND METHODS FOR THE PREPARATION OF PROTEASE RESISTANT HUMAN GROWTH HORMONE GLYCOSYLATION MUTANTS GHITM, PTMS, GHRHR ACHE 4414/4885CHRNB2 3359/4885CHRNB4 3413/4885

“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.