SCHEMBL15727223

SCHEMBL15727223

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ PDPK1 O15530 1/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ DRD2 P14416 3/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL15750368 1.00 CCNT1 (0.35) CCNT1CDK9PDPK1CCNB2PRKCB
SCHEMBL15253607 0.90 CCNT1 (0.34) CCNT1CDK9PDPK1CCNB2PRKCB
SCHEMBL15750389 0.90 CCNT1 (0.34) CCNT1CDK9PDPK1CCNB2PRKCB
SCHEMBL18630290 0.88 CCNT1 (0.32) CCNT1CDK9
SCHEMBL17282925 0.87 PDE4A (0.35) CCNT1CDK9DRD2
SCHEMBL15727211 0.85 CCNT1 (0.35) CCNT1CDK9DRD2
SCHEMBL23314688 0.85 PDE4A (0.36) CCNT1CDK9DRD2
SCHEMBL18681188 0.85 CTSD (0.31) CCNT1CDK9
SCHEMBL23314673 0.85 CTSD (0.31) CCNT1CDK9
SCHEMBL22275833 0.83 CA12 (0.32) CCNT1CDK9

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
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP disclosed
US-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-22 — — 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-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CCNT1 2056/4885CDK9 3768/4885PDPK1 2081/4885

“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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