SCHEMBL18984068

SCHEMBL18984068

O=C(O)N1CC[C@H](O)C(F)(F)C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL1965587 1.00 SCN9A (0.33) SCN9AKDM4EMEN1USP2ALDH1A1
SCHEMBL18983845 1.00 SCN9A (0.33) SCN9AKDM4EMEN1USP2ALDH1A1
SCHEMBL20973539 0.81 SMN1; SMN2 (0.33) ALDH1A1EPHX2
SCHEMBL17438862 0.81 SMN1; SMN2 (0.33) ALDH1A1EPHX2
SCHEMBL16972996 0.79 EPHX1 (0.40) SCN9AEPHX2
SCHEMBL18984269 0.79 ALDH1A1 (0.35) SCN9AKDM4EMEN1USP2ALDH1A1
SCHEMBL18984267 0.79 ALDH1A1 (0.35) SCN9AKDM4EMEN1USP2ALDH1A1
SCHEMBL15719047 0.79 CHRNB2 (0.32)
SCHEMBL27191329 0.79 CHRNB2 (0.32)
SCHEMBL27143501 0.79 CHRNB2 (0.32)

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-10316049-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
EP-3394044-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2018-10-31 EP disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS SCN9A 3426/4885KDM4E 1474/4885MEN1 3091/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS SCN9A 3426/4885KDM4E 1474/4885MEN1 3091/4885

“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.