SCHEMBL20835972

SCHEMBL20835972

CC(=O)OC(C)=O.O=C(OC(=O)C(F)F)C(F)F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.33

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
SCHEMBL308255 0.92
Acetic Acid SCHEMBL9803607 0.86 FFAR3 (0.41) ALDH1A1TSHR
SCHEMBL308254 0.85
SCHEMBL3977752 0.82 ALDH1A1 (0.71) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL3977750 0.82 ALDH1A1 (0.71) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL23505751 0.78 TSHR (0.33) TSHR
SCHEMBL13983739 0.78
SCHEMBL1331774 0.74
SCHEMBL523 0.74
SCHEMBL1331977 0.74

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-3459953-B1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 2021-06-30 EP disclosed
US-20190292190-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-09-26 US disclosed
EP-3459953-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2019-03-27 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-20190292190-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE RPS6KA1, RPS6KA3, MAPK9 ALDH1A1 4446/4885TSHR 1195/4885HSD17B10 3657/4885

“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.