SCHEMBL20180715

SCHEMBL20180715

CC(C)OC(=O)[C@@H](C)CCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CTSB P07858 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FOLH1 Q04609 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL19746095 1.00 TSHR (0.49) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL20180695 1.00 TSHR (0.49) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL22087975 0.91 TSHR (0.46) TSHRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL19746164 0.88 TSHR (0.49) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL12539606 0.88 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL11116485 0.86 SMN1; SMN2 (0.48) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL22086823 0.85 TSHR (0.46) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL23620881 0.85 L3MBTL1 (0.51) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL20180360 0.85 L3MBTL1 (0.51) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL20180712 0.85 L3MBTL1 (0.51) TSHRALDH1A1SMN1; SMN2HTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541825-B1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES IDENIX PHARMACEUTICALS LLC (US) 2026-04-01 EP disclosed
EP-3303359-B1 NUCLEOTIDES FOR THE TREATMENT OF CANCER IDENIX PHARMACEUTICALS LLC (US) 2024-11-06 EP disclosed
US-11730748-B2 Cyclic phosphate substituted nucleoside derivatives for the treatment of liver diseases MSD INTERNATIONAL GMBH (CH) 2023-08-22 US disclosed
US-11730748-B2 Cyclic phosphate substituted nucleoside derivatives for the treatment of liver diseases MSD INTERNATIONAL GMBH (CH) 2023-08-22 US disclosed
US-11730748-B2 Cyclic phosphate substituted nucleoside derivatives for the treatment of liver diseases MSD INTERNATIONAL GMBH (CH) 2023-08-22 US disclosed
CN-110099912-B Antiviral tenofovir aliphatic ester prodrug 默沙东公司 2021-10-15 CN disclosed
US-20210205339-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES MSD INTERNATIONAL GMBH (CH) 2021-07-08 US disclosed
US-10766917-B2 Nucleotides for the treatment of cancer IDENIX PHARMACEUTICALS LLC (US) 2020-09-08 US disclosed
US-20190192548-A1 USE OF CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVESFOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2019-06-27 US disclosed
US-20180155385-A1 NUCLEOTIDES FOR THE TREATMENT OF CANCER IDENIX PHARMACEUTICALS LLC (US) 2018-06-07 US disclosed
US-20180155385-A1 NUCLEOTIDES FOR THE TREATMENT OF CANCER IDENIX PHARMACEUTICALS LLC (US) 2018-06-07 US disclosed
WO-2018091542-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES IDENIX PHARMACEUTICALS LLC (US) 2018-05-24 WO 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 (5 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-20180155385-A1 NUCLEOTIDES FOR THE TREATMENT OF CANCER NUDT1, NTPCR, ENTPD5 TSHR 4425/4885ALDH1A1 1553/4885SMN1; SMN2 1995/4885
US-11730748-B2 Cyclic phosphate substituted nucleoside derivatives for the treatment of liver diseases SLC10A1, PNP, PYGL TSHR 2275/4885ALDH1A1 1448/4885SMN1; SMN2 1914/4885
US-20210205339-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES SLC10A1, PNP, PYGL TSHR 2275/4885ALDH1A1 1448/4885SMN1; SMN2 1914/4885
US-20190192548-A1 USE OF CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVESFOR THE TREATMENT OF VIRAL DISEASES PNP, ENTPD5, TYMP TSHR 3306/4885ALDH1A1 1921/4885SMN1; SMN2 1230/4885
US-10766917-B2 Nucleotides for the treatment of cancer NUDT1, NTPCR, ENTPD5 TSHR 4425/4885ALDH1A1 1553/4885SMN1; SMN2 1995/4885

“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.