SCHEMBL3608651

SCHEMBL3608651

O=C(NCc1cccc(OC(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 7/20 0.60
▸ ROCK2 O75116 6/20 0.57
▸ ABCB1 P08183 1/20 0.53
▸ ENPP2 Q13822 1/20 0.52
▸ MAPT P10636 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ CNR1 P21554 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ GCGR P47871 3/20 0.46
▸ GIPR P48546 3/20 0.46
▸ MMP13 P45452 1/20 0.45
▸ RIPK1 Q13546 1/20 0.44
▸ GLS O94925 1/20 0.44

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
SCHEMBL3608947 0.88 ENPP2 (0.58) ROCK1ROCK2ENPP2MAPTALOX5
SCHEMBL5622513 0.83 ROCK1 (0.49) ROCK1ROCK2CNR1ALOX5GCGR
SCHEMBL3613941 0.80 RHOC (0.60) ROCK1ROCK2ENPP2MAPTALOX5
SCHEMBL3613478 0.79 ENPP2 (0.62) ROCK1ROCK2ENPP2MAPTMAPK1
SCHEMBL3603763 0.79 ENPP2 (0.57) ROCK1ROCK2ENPP2MAPTGCGR
SCHEMBL3612025 0.79 ENPP2 (0.62) ROCK1ROCK2ENPP2GCGRGIPR
SCHEMBL3242420 0.79 ROCK1 (0.49) ROCK1ROCK2ABCB1MAPK14MMP13
SCHEMBL3618001 0.79 ENPP2 (0.59) ROCK1ROCK2ENPP2MAPTMAPK14
SCHEMBL3607656 0.79 ENPP2 (0.64) ROCK1ROCK2ENPP2MAPTMAPK1
SCHEMBL3606071 0.79 ENPP2 (0.61) ROCK1ROCK2ENPP2MAPTCNR1

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 ROCK1 102/4885ROCK2 89/4885ABCB1 3230/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ROCK1 28/4885ROCK2 31/4885ABCB1 3744/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ROCK1 93/4885ROCK2 87/4885ABCB1 3267/4885

“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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