SCHEMBL2567352

SCHEMBL2567352

NC(=NO)c1ccc(CN2CC(C(=O)O)C2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 19/20 0.55
S1PR1 P21453 14/20 0.55
HTR2A P28223 1/20 0.53
KCNH2 Q12809 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
LTK P29376 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
S1PR3 Q99500 2/20 0.46
S1PR4 O95977 1/20 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
SCHEMBL2567351 1.00 S1PR5 (0.55) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL2570015 0.83 S1PR5 (0.40) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL2570014 0.83 S1PR5 (0.40) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL13284491 0.83 S1PR5 (0.40) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL2570688 0.82 S1PR1 (0.49) S1PR5S1PR1KCNH2S1PR3S1PR4
SCHEMBL2570690 0.82 S1PR1 (0.49) S1PR5S1PR1KCNH2S1PR3S1PR4
SCHEMBL406722 0.82 S1PR5 (0.59) S1PR5S1PR1S1PR3S1PR4
SCHEMBL406723 0.82 S1PR5 (0.59) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3040582 0.74 S1PR5 (0.69) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL16695243 0.74 S1PR5 (0.82) S1PR5S1PR1HTR2AKCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354398-B2 Substituted isoxazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
EP-2382212-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO 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 (1 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-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS S1PR4, S1PR3, S1PR1 S1PR5 4/4885S1PR1 3/4885HTR2A 1097/4885

“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.