SCHEMBL22275625

SCHEMBL22275625

COC(=O)[C@@H]1Cc2ccc(OC)c(c2)-c2cc(ccc2OC)[C@H](N)C(=O)N[C@@H](C2CC2)C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ PDE4B Q07343 3/20 0.32
▸ GAA P10253 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PDE4A P27815 1/20 0.30

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
SCHEMBL22275706 0.88 TP53 (0.32) TP53SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL806768 0.87 HDAC3 (0.33) TP53SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL23447160 0.77 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15253619 0.77 HDAC3 (0.34) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14234456 0.75 GAA (0.33) TP53SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL14234967 0.75 GAA (0.33) TP53SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL17282907 0.75 GAA (0.33) TP53SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL26481205 0.74 HDAC3 (0.33) TP53SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL15279899 0.73 HDAC3 (0.38) TP53SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL23605410 0.73 PDE4A (0.33) TP53SMN1; SMN2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377474-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-08-16 — — EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-11072635-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2021-07-27 — — US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 — — US disclosed
US-20200239519-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2020-07-30 — — 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-20200239519-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC TP53 3354/4885SMN1; SMN2 1689/4885HDAC3 2211/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC TP53 3354/4885SMN1; SMN2 1689/4885HDAC3 2211/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC TP53 3354/4885SMN1; SMN2 1689/4885HDAC3 2211/4885
US-11072635-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC TP53 3354/4885SMN1; SMN2 1689/4885HDAC3 2211/4885

“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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