SCHEMBL3608947

SCHEMBL3608947

O=C(NCc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.58
▸ ALOX5 P09917 1/20 0.54
▸ GCGR P47871 4/20 0.54
▸ GIPR P48546 4/20 0.54
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ PPARA Q07869 3/20 0.48
▸ PPARD Q03181 2/20 0.48
▸ ROCK1 Q13464 2/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL3608651 0.88 ROCK1 (0.60) ENPP2ALOX5GCGRGIPRROCK1
SCHEMBL3606071 0.86 ENPP2 (0.61) ENPP2ALOX5GCGRGIPRHDAC3
SCHEMBL3618001 0.84 ENPP2 (0.59) ENPP2PPARAPPARDROCK1ROCK2
SCHEMBL15499905 0.81 HDAC3 (0.54) ALOX5GCGRGIPRHDAC3HDAC4
SCHEMBL3613941 0.81 RHOC (0.60) ENPP2ALOX5GCGRGIPRROCK1
SCHEMBL3613478 0.81 ENPP2 (0.62) ENPP2ROCK1ROCK2MAPTSMN1; SMN2
SCHEMBL3603763 0.80 ENPP2 (0.57) ENPP2GCGRGIPRROCK1ROCK2
SCHEMBL3612025 0.80 ENPP2 (0.62) ENPP2GCGRGIPRROCK1ROCK2
SCHEMBL3603603 0.80 ENPP2 (0.61) ENPP2HDAC4ROCK1ROCK2MAPT
SCHEMBL3607656 0.80 ENPP2 (0.64) ENPP2HDAC3HDAC1HDAC2HDAC6

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 12 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
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 — — 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 (4 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 ENPP2 42/4885ALOX5 428/4885GCGR 2890/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ENPP2 80/4885ALOX5 254/4885GCGR 2302/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ENPP2 42/4885ALOX5 416/4885GCGR 2806/4885
US-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 ENPP2 2557/4885ALOX5 3423/4885GCGR 4328/4885

“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.

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