SCHEMBL21518246

SCHEMBL21518246

COC(=O)CC1OC(OC(C)=O)C(NC(C)=O)[C@@H](OC(C)=O)C1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ CYP3A4 P08684 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TGM2 P21980 1/20 0.38
▸ CYP2D6 P10635 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TLR4 O00206 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL21518244 0.93 LMNA (0.49) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL27210212 0.85 CYP2D6 (0.44) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL29546194 0.85 CYP2D6 (0.44) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL10687435 0.84 LMNA (0.53) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL6324521 0.84 LMNA (0.53) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL6324514 0.84 LMNA (0.53) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL18241062 0.84 CYP2D6 (0.47) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL18241081 0.84 CYP2D6 (0.47) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL21332149 0.84 CYP3A4 (0.46) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL18102364 0.83 LMNA (0.52) LMNAKMT2AALDH1A1POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023325-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2022-01-27 — — US disclosed
EP-3558323-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA Etablissement Français du Sang (FR) 2019-10-30 — — 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-20220023325-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA TLR4, TLR3, TLR2 LMNA 2057/4885KMT2A 574/4885ALDH1A1 4496/4885

“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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