SCHEMBL3037098

SCHEMBL3037098

CCCCC(COC=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 5/20 0.36
ADH1B P00325 3/20 0.33
ADH1C P00326 3/20 0.33
ADH1A P07327 3/20 0.33
ADH7 P40394 3/20 0.33
ADH4 P08319 2/20 0.33
FDPS P14324 1/20 0.33
CYP3A4 P08684 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 2/20 0.31
SLC15A1 P46059 1/20 0.31
EPHX1 P07099 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL385559 0.79 TSHR (0.40) TSHRSMN1; SMN2CTSKADH1BADH1C
Hydrochloric Acid SCHEMBL29133121 0.78 TSHR (0.39) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL3030523 0.78 TSHR (0.39) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL28669358 0.77 CTSK (0.32) TSHRSMN1; SMN2CTSK
SCHEMBL28012234 0.74 TSHR (0.36) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL3042552 0.73 ADH1B (0.42) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL3040110 0.73 CYP3A4 (0.41) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL9120387 0.73 TSHR (0.39) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL20723704 0.73 TSHR (0.39) TSHRSMN1; SMN2CTSKFDPSCYP3A4
SCHEMBL96308 0.73 CYP3A4 (0.55) TSHRSMN1; SMN2CYP3A4L3MBTL1ATM

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
US-20100216736-A2 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound MATSUDA, AKIRA (JP) 2010-03-04 US disclosed
EP-2045256-A1 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2009-04-08 EP 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-20100216736-A2 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND NUDT1, DPYD, SLC29A1 TSHR 2498/4885SMN1; SMN2 1045/4885CTSK 4594/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 TSHR 2498/4885SMN1; SMN2 1045/4885CTSK 4594/4885

“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.