SCHEMBL2569102

SCHEMBL2569102

CCCc1c(C(=O)OC)noc1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
PIM3 Q86V86 1/20 0.32
FBP1 P09467 1/20 0.31

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
SCHEMBL2570427 0.89 RAB9A (0.35) S1PR1S1PR3RAB9AHPGDLMNA
SCHEMBL2565733 0.88 NPSR1 (0.36) S1PR1RAB9AHPGDLMNAKDM4E
SCHEMBL16301189 0.84 LMNA (0.35) RAB9ALMNAKDM4EMAPTNPSR1
SCHEMBL2565404 0.84 GRIA1 (0.43) S1PR1S1PR3RAB9AHPGDMAPK1
SCHEMBL1226715 0.81 NPSR1 (0.37) RAB9AHPGDLMNAKDM4EMAPT
SCHEMBL12000503 0.79 NPSR1 (0.38) RAB9AHPGDLMNAKDM4EMAPT
SCHEMBL13285297 0.79 S1PR1 (0.36) S1PR1S1PR3RAB9AHPGDLMNA
SCHEMBL1225848 0.74 S1PR1 (0.37) S1PR1S1PR3LMNAKDM4ENPSR1
SCHEMBL2570414 0.72 GRIA1 (0.43) S1PR1S1PR3RAB9AHPGDMAPK1
SCHEMBL13285298 0.70 HPGD (0.35) S1PR1S1PR3RAB9AHPGDLMNA

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 7 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-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
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 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 S1PR1 3/4885S1PR3 2/4885RAB9A 1417/4885

“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.