SCHEMBL2571920

SCHEMBL2571920

NC(=NO)c1ccc(CN2CC(C(=O)O)C2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 15/20 0.41
S1PR1 P21453 11/20 0.40
PRKX P51817 1/20 0.40
ACVR1 Q04771 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LTK P29376 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
PDGFRA P16234 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL2571918 1.00 S1PR5 (0.41) S1PR5S1PR1PRKXACVR1PDCD1
SCHEMBL2568870 0.83 DDR1 (0.35) S1PR5S1PR1PDCD1CD274
SCHEMBL2568868 0.83 DDR1 (0.35) S1PR5S1PR1PDCD1CD274
SCHEMBL2569481 0.83 DDR1 (0.35) S1PR5S1PR1PDCD1CD274
SCHEMBL406722 0.79 S1PR5 (0.59) S1PR5S1PR1
SCHEMBL406723 0.79 S1PR5 (0.59) S1PR5S1PR1
SCHEMBL24075435 0.72 S1PR5 (0.52) S1PR5S1PR1PRKXACVR1PDCD1
SCHEMBL24075687 0.72 S1PR5 (0.52) S1PR5S1PR1PRKXACVR1PDCD1
SCHEMBL25254921 0.72 S1PR5 (0.52) S1PR5S1PR1PRKXACVR1PDCD1
SCHEMBL16591188 0.71 KDM1A (0.41)

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 3/4885PRKX 573/4885

“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.