SCHEMBL4788321

SCHEMBL4788321

COc1ccc(-c2nc(SC)c(C#N)c(N3CCOCC3)n2)cc1S(=O)(=O)C1CNCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
HPGD P15428 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 4/20 0.37
HTT P42858 4/20 0.37
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE11A Q9HCR9 2/20 0.34
PDE3B Q13370 1/20 0.34
PIK3CG P48736 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3C2B O00750 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 3/20 0.34

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
SCHEMBL4748170 0.83 CA2 (0.46) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL4788324 0.83 BRD4 (0.49) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL4787693 0.82 CYP2C9 (0.39) KDM4EMTORPIK3CAMAPTBRD4
SCHEMBL4786505 0.73 KDM4E (0.53) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL4744561 0.70 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL4787255 0.69 KDM4E (0.70) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL7900089 0.69 CA2 (0.46) ALDH1A1HPGDHIF1APDE4APDE4B
SCHEMBL7892625 0.69 BRD4 (0.49) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL4744379 0.68 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHTTNPSR1
SCHEMBL4748833 0.64 CA12 (0.40) ALDH1A1HPGDKDM4EHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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 (1 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S ALDH1A1 825/4885HPGD 1364/4885KDM4E 1998/4885

“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.