SCHEMBL4748833

SCHEMBL4748833

COc1ccc(-c2nc(NC3CC3)c(C#N)c(SC)n2)cc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 1/20 0.39
SYK P43405 2/20 0.39
PI4KB Q9UBF8 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
PIM1 P11309 1/20 0.36
CA4 P22748 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36

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
SCHEMBL4748211 0.88 NPSR1 (0.41) CA12CA2CA9CA1NPSR1
SCHEMBL7898409 0.84 CA12 (0.40) CA12CA2CA9CA1SYK
SCHEMBL4745003 0.81 SYK (0.44) CA12CA2CA9CA1SYK
SCHEMBL4788376 0.79 FLT3 (0.40) CA12CA2CA9NPSR1KDM4E
SCHEMBL4748170 0.77 CA2 (0.46) CA12CA2CA9CA1NPSR1
SCHEMBL8383269 0.74 ALDH1A1 (0.40) NPSR1KDM4EALDH1A1MAPTGAA
SCHEMBL4744561 0.73 ALDH1A1 (0.45) CA12CA2CA9CA1KDM4E
SCHEMBL7899416 0.72 CA2 (0.40) CA12CA2CA9CA1ALDH1A1
SCHEMBL4744572 0.66 MAPT (0.55) NPSR1KDM4EALDH1A1MAPTGAA
SCHEMBL7901328 0.65 FLT3 (0.38) CA12CA2CA9BRD4ENPP3

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
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO claimed
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 CA12 3795/4885CA2 2732/4885CA9 3052/4885

“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.