SCHEMBL5986715

SCHEMBL5986715

COC(=O)O[C@H](C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.45
TRPV1 Q8NER1 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PTGS1 P23219 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA2 P00918 1/20 0.32
MMP12 P39900 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PGR P06401 1/20 0.31
PDE4A P27815 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 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
SCHEMBL7601638 1.00 TSHR (0.50) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL5987686 1.00 TSHR (0.50) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL3814630 0.89 TSHR (0.55) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL987906 0.86 TSHR (0.65) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL5987769 0.82 TSHR (0.62) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL7793540 0.82 TSHR (0.62) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL5986811 0.82 TSHR (0.62) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL23125442 0.81 TSHR (0.42) TSHRALDH1A1TRPV1CHRM2CHRM4
Acetic Acid SCHEMBL11076307 0.80 TSHR (0.58) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL7068790 0.79 SMN1; SMN2 (0.32) TSHRALDH1A1SMN1; SMN2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 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 (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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 TSHR 1316/4885ALDH1A1 484/4885TRPV1 2161/4885

“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.