Sugi Predict

Sugi Predict / Compounds / SCHEMBL15316319

SCHEMBL15316319

SCHEMBL15316319

CCCCOc1cc2c(cc1C1C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc31)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 9/20 0.47
▸ SCN7A Q01118 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ SCN2A Q99250 1/20 0.46
▸ SCN8A Q9UQD0 1/20 0.46
▸ SCN10A Q9Y5Y9 1/20 0.46
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL19734525 0.93 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734397 0.89 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18748271 0.89 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15312943 0.88 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19718067 0.85 SCN9A (0.46) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15314993 0.84 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18606884 0.83 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734441 0.81 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734398 0.80 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL18750551 0.78 SCN9A (0.50) SCN9ASCN7ASCN5ASCN2ASCN8A

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-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-03-09 — — US disclosed
US-9487535-B2 Asymmetric syntheses for spiro-oxindole compounds useful as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-08 — — US disclosed
WO-2013154712-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-10-17 — — WO disclosed
US-20130274483-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS PACIRA PHARMACEUTICALS, INC. 2013-10-17 — — 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 (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-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS OPRK1, OPRL1, PKD2 SCN9A 51/4885SCN7A 29/4885SCN5A 22/4885
US-20130274483-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS OPRK1, OPRL1, PKD2 SCN9A 51/4885SCN7A 29/4885SCN5A 22/4885

“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.