SCHEMBL7900089

SCHEMBL7900089

[C-]#[N+]c1c(SC)nc(-c2ccc(OC)c(S(N)(=O)=O)c2)nc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
MTOR P42345 4/20 0.42
CA12 O43570 4/20 0.40
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
CA1 P00915 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GAK O14976 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL7892625 0.90 BRD4 (0.49) ALDH1A1HPGDHIF1AMTORBRD4
SCHEMBL7903597 0.85 ALDH1A1 (0.45) CA2CA9ALDH1A1HPGDCA12
SCHEMBL4748170 0.84 CA2 (0.46) CA2CA9ALDH1A1HPGDHIF1A
SCHEMBL7892613 0.80 PIK3CA (0.53) ALDH1A1HPGDMTORPIK3CDPIK3CA
SCHEMBL7899416 0.79 CA2 (0.40) CA2CA9ALDH1A1CA12CA1
SCHEMBL7898409 0.77 CA12 (0.40) CA2CA9ALDH1A1CA12CA1
SCHEMBL7901560 0.76 GAA (0.52) ALDH1A1HPGDMTORPIK3CATRPM8
SCHEMBL4788324 0.75 BRD4 (0.49) ALDH1A1HPGDHIF1AMTORBRD4
SCHEMBL4744561 0.70 ALDH1A1 (0.45) CA2CA9ALDH1A1HPGDCA12
SCHEMBL4788321 0.69 ALDH1A1 (0.37) ALDH1A1HPGDHIF1AMTORPIK3CD

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 1 patent. 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 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 CA2 2732/4885CA9 3052/4885ALDH1A1 825/4885

“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.