SCHEMBL1992569

SCHEMBL1992569

CC(C)(C)OC(=O)NCc1ccc2c(c1)C1(CCNCC1)CO2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.38
HDAC1 Q13547 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
GLS O94925 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3438836 0.89 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HTTPRSS1PRSS2
SCHEMBL14898222 0.84 PRSS1 (0.38) PRSS1PRSS2PRSS3
SCHEMBL8040140 0.83 PRSS1 (0.41) SMN1; SMN2ALDH1A1HTTPRSS1PRSS2
SCHEMBL1985760 0.82 NPFFR1 (0.50) ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL13830388 0.79 PRSS1 (0.46) HTTNAMPTHDAC1PRSS1PRSS2
SCHEMBL8051490 0.77 POLB (0.42) L3MBTL1ALDH1A1HTTPRSS1PRSS2
SCHEMBL14898332 0.76 PRSS1 (0.45) PRSS1PRSS2PRSS3
SCHEMBL14885436 0.76 PRSS1 (0.42) PRSS1PRSS2PRSS3
SCHEMBL15861764 0.76 ALDH1A1 (0.44) SMN1; SMN2BRD4CREBBPL3MBTL1ALDH1A1
SCHEMBL14898228 0.76 PRSS1 (0.42) HDAC1PRSS1PRSS2PRSS3

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-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO disclosed
WO-2011079103-A1 SPIROPIPERIDINE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079103-A1 SPIROPIPERIDINE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A SMN1; SMN2 1728/4885BRD4 973/4885CREBBP 3054/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 SMN1; SMN2 2398/4885BRD4 1801/4885CREBBP 1538/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 SMN1; SMN2 2398/4885BRD4 1801/4885CREBBP 1538/4885

“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.