SCHEMBL16479216

SCHEMBL16479216

CCOc1c(C)cccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 3/20 0.42
▸ PTPN1 P18031 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ SCN4A P35499 6/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SCN1A P35498 2/20 0.36
▸ SCN5A Q14524 2/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ KCNK2 O95069 1/20 0.36
▸ GBA1 P04062 1/20 0.36

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
SCHEMBL16479208 0.87 SCN8A (0.46) SCN8APTPN1LMNATSHRKCNH2
SCHEMBL16955205 0.86 SCN8A (0.42) SCN8APTPN1L3MBTL1HPGDPDK2
SCHEMBL16952357 0.83 S1PR1 (0.40) SCN8AL3MBTL1SCN9AKCNK3SLC6A4
SCHEMBL16960643 0.81 L3MBTL1 (0.36) L3MBTL1HPGDPDK2LMNAGRM5
SCHEMBL2522911 0.81 ALDH1A1 (0.47) SCN8APTPN1L3MBTL1SCN4ALMNA
SCHEMBL16957304 0.80 KCNK3 (0.39) SCN8APTPN1L3MBTL1SCN9AKCNK3
SCHEMBL13408060 0.80 KCNK3 (0.45) L3MBTL1HPGDPDK2LMNACYP1A2
SCHEMBL16953547 0.79 HCRTR1 (0.40) L3MBTL1HPGDPDK2SLC6A4ALDH1A1
SCHEMBL16953545 0.79 GSK3A (0.38) L3MBTL1HPGDPDK2CYP1A2CYP2C9
SCHEMBL16953782 0.79 F2R (0.39) L3MBTL1HPGDPDK2LMNAKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 — — EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 — — 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 (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-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 SCN8A 4817/4885PTPN1 3893/4885L3MBTL1 1356/4885

“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.

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