SCHEMBL3603763

SCHEMBL3603763

O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.57
▸ RHOC P08134 1/20 0.47
▸ RHOA P61586 1/20 0.47
▸ MPL P40238 2/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ P2RX7 Q99572 2/20 0.44
▸ MAOB P27338 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ SUCNR1 Q9BXA5 1/20 0.42
▸ GCGR P47871 3/20 0.42
▸ GIPR P48546 3/20 0.42
▸ MAPT P10636 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ KDM1A O60341 1/20 0.41

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
SCHEMBL3612025 0.92 ENPP2 (0.62) ENPP2RHOCRHOAROCK2ROCK1
SCHEMBL3613478 0.88 ENPP2 (0.62) ENPP2RHOCRHOAROCK2ROCK1
SCHEMBL3607656 0.87 ENPP2 (0.64) ENPP2ROCK2ROCK1MAOBTP53
SCHEMBL3606071 0.85 ENPP2 (0.61) ENPP2RHOCRHOAROCK2ROCK1
SCHEMBL3613941 0.84 RHOC (0.60) ENPP2RHOCRHOAROCK2ROCK1
SCHEMBL3608606 0.84 ENPP2 (0.59) ENPP2RHOCRHOAROCK2ROCK1
SCHEMBL3611825 0.83 ENPP2 (0.54) ENPP2RHOCRHOAROCK2ROCK1
SCHEMBL3614353 0.83 ENPP2 (0.60) ENPP2RHOCRHOAROCK2ROCK1
SCHEMBL3613511 0.81 ENPP2 (0.49) ENPP2RHOCRHOAROCK2ROCK1
SCHEMBL3608947 0.80 ENPP2 (0.58) ENPP2ROCK2ROCK1GCGRGIPR

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 ENPP2 42/4885RHOC 1217/4885RHOA 316/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ENPP2 80/4885RHOC 380/4885RHOA 821/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ENPP2 42/4885RHOC 1183/4885RHOA 319/4885

“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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