SCHEMBL20583296

SCHEMBL20583296

COC(=O)[C@H](C)C(C(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40

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
SCHEMBL24404141 1.00 ALDH1A1 (0.44) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL24404144 0.91 ALDH1A1 (0.49) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL20583689 0.91 ALDH1A1 (0.49) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL20583668 0.89 GAA (0.41) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL24404136 0.89 TSHR (0.43) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL20583417 0.89 TSHR (0.43) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL24404076 0.88 POLB (0.42) ALDH1A1GAAABCC4LMNATSHR
SCHEMBL20583506 0.88 POLB (0.42) ALDH1A1GAAABCC4LMNATSHR
SCHEMBL28538183 0.88 ALDH1A1 (0.42) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL24404086 0.86 ALDH1A1 (0.45) ALDH1A1HPGDMAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370739-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-06-28 US disclosed
US-11370739-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-06-28 US disclosed
EP-3424899-B1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-05-11 EP disclosed
EP-3424899-B1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-05-11 EP disclosed
CN-106977415-B Intermediate of shakubiqu and preparation method thereof 广东东阳光药业有限公司 2021-03-26 CN disclosed
US-20200079721-A1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (HK) 2020-03-12 US disclosed
US-10479753-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2019-11-19 US disclosed
US-10479753-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2019-11-19 US disclosed
EP-3424899-A1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2019-01-09 EP disclosed
EP-3424899-A1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2019-01-09 EP disclosed
US-20180362439-A1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-12-20 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 (4 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-20200079721-A1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF DPP4, ACE, DPP8 ALDH1A1 308/4885HPGD 1169/4885MAPT 1710/4885
US-20180362439-A1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF ACE, DPP4, SI ALDH1A1 339/4885HPGD 1551/4885MAPT 1322/4885
US-11370739-B2 Sacubitril intermediate and preparation method thereof DPP4, ACE, DPP8 ALDH1A1 308/4885HPGD 1169/4885MAPT 1710/4885
US-10479753-B2 Sacubitril intermediate and preparation method thereof ACE, DPP4, SI ALDH1A1 339/4885HPGD 1551/4885MAPT 1322/4885

“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.