SCHEMBL3608199

SCHEMBL3608199

CCCC(=O)Oc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.68
KMT2A Q03164 10/20 0.68
RAB9A P51151 2/20 0.65
POLB P06746 1/20 0.60
RORC P51449 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPK10 P53779 1/20 0.56
MAPT P10636 3/20 0.52
ROCK1 Q13464 2/20 0.52
ALDH1A1 P00352 1/20 0.52
APP P05067 1/20 0.52
HTT P42858 1/20 0.52
CYP3A4 P08684 1/20 0.51
PRKACA P17612 1/20 0.51

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
SCHEMBL3612066 0.95 KMT2A (0.61) MEN1KMT2ARAB9APOLBRORC
SCHEMBL3610152 0.92 MEN1 (0.57) MEN1KMT2ARAB9APOLBRORC
SCHEMBL3611870 0.90 RORC (0.58) MEN1KMT2ARAB9APOLBRORC
SCHEMBL3613307 0.88 RAB9A (0.53) MEN1KMT2ARAB9APOLBRORC
SCHEMBL3610857 0.86 RORC (0.56) MEN1KMT2ARAB9APOLBRORC
SCHEMBL3611666 0.86 LMNA (0.54) MEN1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL3612273 0.82 KMT2A (0.68) MEN1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL3609127 0.82 MEN1 (0.55) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL3609122 0.82 MEN1 (0.55) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL3614284 0.81 ABL1 (0.52) MEN1KMT2ARAB9APOLBSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 MEN1 2826/4885KMT2A 2486/4885RAB9A 3463/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 MEN1 4490/4885KMT2A 4046/4885RAB9A 3003/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 MEN1 2786/4885KMT2A 2406/4885RAB9A 3421/4885

“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.