SCHEMBL24991024

SCHEMBL24991024

C[C@H](N[C@@H](C)P(=O)(O)C[C@](O)(Cc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.42
▸ PTPRC P08575 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ NAAA Q02083 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL23515632 0.78 MME (0.51) —
SCHEMBL23515629 0.72 ACE2 (0.45) —
SCHEMBL24991864 0.65 MME (0.58) —
SCHEMBL21993317 0.63 RAB9A (0.55) MAPTSMN1; SMN2HPGDALDH1A1RAB9A
SCHEMBL7944901 0.63 ALDH1A1 (0.56) PTPN1PTPRCMAPTSMN1; SMN2HPGD
SCHEMBL8085256 0.63 RAB9A (0.53) MAPTGAAALDH1A1RAB9ANAAA
SCHEMBL1764208 0.63 ACE2 (0.69) MMP9
SCHEMBL24991304 0.63 ACE2 (0.69) MMP9
SCHEMBL6397780 0.62 PTPN1 (0.60) PTPN1PTPRCALDH1A1KMT2A
SCHEMBL21469067 0.62 ATM (0.68) ALDH1A1MMP9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041504-A1 METHOD FOR THE INDUSTRIAL PREPARATION OF THE DISODIUM SALT OF ((2S)-3-([1,1'-BIPHENYL]-4-YL)-2-((HYDROXY((1R)-1-(((1-(ISOBUTYRYLOXY)ETHOXY)CARBONYL)AMINO)ETHYL)PHOSPHORYL) METHYL)PROPANOYL)-L-ALANINE KOS THERAPEUTICS, INC. 2023-02-09 — — 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 (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-20230041504-A1 METHOD FOR THE INDUSTRIAL PREPARATION OF THE DISODIUM SALT OF ((2S)-3-([1,1'-BIPHENYL]-4-YL)-2-((HYDROXY((1R)-1-(((1-(ISOBUTYRYLOXY)ETHOXY)CARBONYL)AMINO)ETHYL)PHOSPHORYL) METHYL)PROPANOYL)-L-ALANINE CHAMP1, AADAT, PTMS PTPN1 1665/4885PTPRC 2850/4885MAPT 2588/4885

“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.

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