SCHEMBL23046595

SCHEMBL23046595

CC(=O)NC1C(OC(C)=O)[C@H](OC(C)=O)C(COC(C)=O)O[C@H]1OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ POLB P06746 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CYP3A4 P08684 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP2D6 P10635 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MMP12 P39900 1/20 0.46
▸ CA2 P00918 6/20 0.45
▸ CA9 Q16790 6/20 0.45
▸ CA12 O43570 5/20 0.45
▸ CA1 P00915 5/20 0.45
▸ TGM2 P21980 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NR3C1 P04150 1/20 0.43

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
SCHEMBL17231312 1.00 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL19767509 1.00 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL15344529 1.00 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL15344523 1.00 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL24219925 1.00 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL15333945 1.00 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL18710677 1.00 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL16882358 1.00 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL22511639 0.91 LMNA (0.59) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL18710675 0.90 LMNA (0.50) LMNAKMT2APOLBALDH1A1CYP3A4

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-20210308162-A1 NOVEL TLR4 INHIBITORS FOR THE TREATMENT OF HUMAN INFECTIOUS AND INFLAMMATORY DISORDERS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-10-07 — — US disclosed
US-10933077-B2 TLR4 inhibitors for the treatment of human infectious and inflammatory disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-03-02 — — 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 (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-20210308162-A1 NOVEL TLR4 INHIBITORS FOR THE TREATMENT OF HUMAN INFECTIOUS AND INFLAMMATORY DISORDERS TLR4, TLR3, TLR1 LMNA 3101/4885KMT2A 4485/4885POLB 4103/4885
US-10933077-B2 TLR4 inhibitors for the treatment of human infectious and inflammatory disorders TLR4, TLR3, TLR1 LMNA 2824/4885KMT2A 4503/4885POLB 4187/4885

“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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