SCHEMBL407443

SCHEMBL407443

CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 17/20 1.00
S1PR4 O95977 2/20 0.70
S1PR5 Q9H228 2/20 0.70

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
SCHEMBL2573089 0.95 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2575515 0.93 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2576568 0.93 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL409940 0.90 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2576516 0.89 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2578057 0.89 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL14615165 0.88 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL405864 0.87 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1226006 0.86 S1PR1 (0.88) S1PR1S1PR3
SCHEMBL2576578 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5

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-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-8354398-B2 Substituted isoxazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 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-2389377-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-30 EP disclosed
US-8038731-B2 hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics L'OREAL S.A. (FR) 2011-10-18 US disclosed
WO-2010085582-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 (2 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 2/4885S1PR4 1/4885
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 2/4885

“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.