SCHEMBL4933775

SCHEMBL4933775

Cc1ccccc1C=N[S+]([O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 5/20 0.35
RAB9A P51151 5/20 0.33
NPC1 O15118 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 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
SCHEMBL4933768 1.00 GPR3 (0.41) GPR3ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL12037326 1.00 GPR3 (0.41) GPR3ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL29748388 1.00 GPR3 (0.41) GPR3ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL15630922 0.86 GPR3 (0.35) GPR3ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL4935604 0.86 GPR3 (0.35) GPR3ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL4935598 0.86 GPR3 (0.35) GPR3ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL25472036 0.81 GPR3 (0.40) GPR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL23579547 0.81 GPR3 (0.40) GPR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14862602 0.81 GRIN2D (0.42) GPR3ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL25232452 0.81 GPR3 (0.40) GPR3ALDH1A1MAPTLMNASMN1; SMN2

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
CN-111518166-B Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2023-01-31 CN disclosed
CN-111518166-A Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2020-08-11 CN disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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 (2 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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C GPR3 290/4885ALDH1A1 842/4885TSHR 2228/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A GPR3 450/4885ALDH1A1 1120/4885TSHR 1576/4885

“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.