SCHEMBL4995897

SCHEMBL4995897

CN(c1ccc(O)cc1)C12CC3CC(CC(c4ccc(Cl)cc4)(C3)C1)C2.FC(F)(F)c1ccc(CNCC23CC4CC(C2)CC(c2ccc(Cl)cc2)(C4)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SPHK1 Q9NYA1 2/20 0.38
ESR1 P03372 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
MC4R P32245 1/20 0.33
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 1/20 0.32
OPRL1 P41146 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
SCHEMBL1548187 0.85 LMNA (0.52) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL4995901 0.85 SPHK2 (0.46) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL2734576 0.80 ESR1 (0.48) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL1549039 0.74 LMNA (0.49) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL1548196 0.73 LMNA (0.48) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL1548830 0.73 SPHK2 (0.69) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL1548627 0.72 LMNA (0.47) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL4761609 0.71 LMNA (0.50) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL4717890 0.69 MEN1 (0.50) SPHK2MEN1KMT2ALMNAHTT
SCHEMBL1548319 0.69 SPHK2 (0.77) SPHK2MEN1KMT2ALMNAHTT

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-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US claimed

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-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 SPHK2 2/4885MEN1 2111/4885KMT2A 3321/4885

“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.