SCHEMBL132328

SCHEMBL132328

O=C(Cl)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.59
SPHK1 Q9NYA1 2/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
HSD11B1 P28845 4/20 0.49
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL133608 0.89 SPHK2 (0.58) SPHK2SPHK1MEN1KMT2ASMN1; SMN2
SCHEMBL1548365 0.88 SPHK2 (0.57) SPHK2SPHK1MEN1KMT2ASMN1; SMN2
SCHEMBL11259324 0.86 HSD11B1 (0.64) MEN1KMT2ALMNAHSD11B1POLB
SCHEMBL1548963 0.82 SPHK2 (0.60) SPHK2SPHK1MEN1KMT2ASMN1; SMN2
SCHEMBL1548764 0.81 SPHK2 (0.51) SPHK2SPHK1MEN1KMT2ASMN1; SMN2
SCHEMBL1548098 0.81 POLB (0.61) SPHK2SPHK1MEN1KMT2ASMN1; SMN2
SCHEMBL1548377 0.80 LMNA (0.59) SPHK2SPHK1MEN1KMT2ASMN1; SMN2
SCHEMBL1548747 0.79 LMNA (0.61) SPHK2SPHK1MEN1KMT2ASMN1; SMN2
SCHEMBL1548100 0.79 SPHK2 (0.69) SPHK2SPHK1MEN1KMT2ASMN1; SMN2
SCHEMBL1548985 0.79 SPHK2 (0.52) SPHK2SPHK1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2405751-B1 SPHINGOSINE KINASE INHIBITOR PRODRUGS APOGEE BIOTECHNOLOGY CORP (US) 2015-08-19 EP disclosed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US disclosed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US disclosed
US-20120095004-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-04-19 US disclosed
US-20120095004-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-04-19 US disclosed
US-20120058966-A1 Sphingosine Kinase Inhibitor Prodrugs APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-03-08 US disclosed
US-20120058966-A1 Sphingosine Kinase Inhibitor Prodrugs APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-03-08 US disclosed
EP-2405751-A1 SPHINGOSINE KINASE INHIBITOR PRODRUGS Apogee Biotechnology Corporation (US) 2012-01-18 EP disclosed
US-8063248-B2 3-(4-Chloro-phenyl)-adamantane-1-carboxylic acidisopropylamide; antiproliferative, antiinflammatory agent, angiogenesis inhibitor; sphingolipid-derived signaling pathway; coupling acid or acylhalide of phenyl-adamantane derivatives with aminoalkyl-pyridine APOGEE BIOTECHNOLOGY CORPORATION (US) 2011-11-22 US disclosed
US-8063248-B2 3-(4-Chloro-phenyl)-adamantane-1-carboxylic acidisopropylamide; antiproliferative, antiinflammatory agent, angiogenesis inhibitor; sphingolipid-derived signaling pathway; coupling acid or acylhalide of phenyl-adamantane derivatives with aminoalkyl-pyridine APOGEE BIOTECHNOLOGY CORPORATION (US) 2011-11-22 US disclosed
WO-2010105183-A1 SPHINGOSINE KINASE INHIBITOR PRODRUGS APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-09-16 WO disclosed
WO-2010105183-A1 SPHINGOSINE KINASE INHIBITOR PRODRUGS APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-09-16 WO disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 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 (3 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-20120095004-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 SPHK2 2/4885SPHK1 1/4885MEN1 2111/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 SPHK2 2/4885SPHK1 1/4885MEN1 2111/4885
US-20120058966-A1 Sphingosine Kinase Inhibitor Prodrugs SPHK1, SPHK2, S1PR1 SPHK2 2/4885SPHK1 1/4885MEN1 2460/4885

“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.