SCHEMBL989053

SCHEMBL989053

CC(C)(CCCCCCCCCCC(=N)N)C(C)(C)C(=N)N

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48

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
SCHEMBL988370 1.00 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL12341237 0.76 SPHK2 (0.52) SPHK2SPHK1
SCHEMBL3784331 0.72 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL8912936 0.72 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL23668354 0.72 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL31541184 0.72 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL11154443 0.72 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL17747405 0.72 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL31541186 0.72 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL18926491 0.69 SPHK2 (0.50) SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012985-B2 parasiticides, in particularly against Plasmodium and babesia; antimalarial agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-09-06 US disclosed
EP-2275100-A2 Compounds with anti-parasitic activity and drugs containing said compounds Centre National de la Recherche Scientifique (CNRS) (FR) 2011-01-19 EP disclosed
EP-2266555-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-29 EP disclosed
EP-2260841-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-2260840-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
US-20050176819-A1 Compounds with antiparasitic activity and medicines containing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) 2005-08-11 US disclosed
EP-1524972-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-04-27 EP disclosed
WO-2004009068-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-01-29 WO 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-20050176819-A1 Compounds with antiparasitic activity and medicines containing same ACHE, MPO, PDF SPHK2 2324/4885SPHK1 2100/4885

“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.