SCHEMBL8055438

SCHEMBL8055438

[2H]C([2H])([2H])n1nc(CCC)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP19A1 P11511 2/20 0.33
SMYD3 Q9H7B4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL727 0.88 POLB (0.51) POLBKDM4EGRNSORT1ALDH1A1
SCHEMBL8067023 0.86 GRN (0.38) POLBKDM4EGRNSORT1CA12
SCHEMBL2934234 0.79 KDM4E (0.47) POLBKDM4EGRNSORT1ALDH1A1
SCHEMBL1017 0.78 GRN (0.43) POLBKDM4EGRNSORT1ALDH1A1
SCHEMBL17288712 0.77 KDM4E (0.46) POLBKDM4EGRNSORT1HCAR2
SCHEMBL28251767 0.77 ALDH1A1 (0.41) POLBKDM4EGRNSORT1ALDH1A1
SCHEMBL20503261 0.76 KDM4E (0.45) POLBKDM4EGRNSORT1HCAR2
SCHEMBL13742833 0.76 GRN (0.45) POLBKDM4EGRNSORT1GAA
SCHEMBL8056297 0.75 GRN (0.47) POLBKDM4EGRNSORT1GAA
SCHEMBL13995818 0.75 POLB (0.51) POLBKDM4EGRNSORT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE CONCERT PHARMACEUTICALS INC. (US) 2009-10-29 US disclosed
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use CONCERT PHARMACEUTICALS INC. (US) 2009-08-06 US disclosed
US-20090062298-A1 DEUTERIUM-ENRICHED SILDENAFIL PROTIA, LLC (US) 2009-03-05 US disclosed
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 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-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE PDE5A, PDE3A, PDE3B POLB 700/4885KDM4E 835/4885GRN 2653/4885
US-20090062298-A1 DEUTERIUM-ENRICHED SILDENAFIL PDE5A, PDE3A, PDE2A POLB 1533/4885KDM4E 720/4885GRN 2829/4885
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use PDE5A, PDE3A, PDE3B POLB 700/4885KDM4E 835/4885GRN 2653/4885
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A POLB 1336/4885KDM4E 939/4885GRN 4396/4885

“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.