SCHEMBL17660656

SCHEMBL17660656

CC(C)OC1CN(S(C)(=O)=O)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HCRTR2 O43614 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL17661013 0.84 TSHR (0.41) TSHRTP53ALDH1A1HCRTR2KDM4E
SCHEMBL12448260 0.84 TSHR (0.41) TSHRTP53ALDH1A1HCRTR2KDM4E
SCHEMBL8299606 0.79 TP53 (0.46) TSHRTP53ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL22893218 0.79 USP30 (0.31) HCRTR2
SCHEMBL15299196 0.75 TP53 (0.39) TSHRTP53
SCHEMBL8077317 0.75 TSHR (0.37) TSHRTP53ALDH1A1HCRTR2KDM4E
SCHEMBL15262870 0.73 TP53 (0.34) TP53
SCHEMBL12448261 0.72 CA1 (0.33) SMN1; SMN2
SCHEMBL14737225 0.71 TSHR (0.35) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL24615847 0.70 TP53 (0.32) TP53

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-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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 (3 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-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TSHR 2808/4885TP53 163/4885ALDH1A1 4260/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TSHR 2808/4885TP53 163/4885ALDH1A1 4260/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TSHR 2808/4885TP53 163/4885ALDH1A1 4260/4885

“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.