SCHEMBL20581900

SCHEMBL20581900

C[C@@H](O)CC(=O)NCCCNCCCNC(=O)C[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 2/20 0.40
CA3 P07451 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
PAOX Q6QHF9 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CASP2 P42575 1/20 0.35
KDM1A O60341 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL20581604 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL20581606 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL20581926 0.94 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL20581925 0.94 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL14984047 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL5907669 0.83 CASP2 (0.48) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL20581858 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL20581856 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL5907618 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL5907687 0.82 CASP2 (0.57) SMN1; SMN2KMT2AMEN1CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634430-B1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-08-07 EP disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
EP-3634430-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2020-04-15 EP disclosed
US-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME KINTAI THERAPEUTICS, INC. 2020-04-02 US disclosed
CN-110869024-A Multi-biological agents and methods of use thereof 旗舰创业创新五公司 2020-03-06 CN disclosed
WO-2018226732-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2018-12-13 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 (2 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-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL ALDH1A1 1112/4885SMN1; SMN2 2598/4885TP53 4391/4885
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL ALDH1A1 1112/4885SMN1; SMN2 2598/4885TP53 4391/4885

“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.