SCHEMBL15727308

SCHEMBL15727308

CCCCc1ccc(-c2ccc(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]3CCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](C)NC3=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.40
▸ REN P00797 5/20 0.39
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MLLT3 P42568 1/20 0.37
▸ MLLT1 Q03111 1/20 0.37
▸ BACE1 P56817 3/20 0.37
▸ SIRT6 Q8N6T7 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ FURIN P09958 3/20 0.35
▸ MC4R P32245 1/20 0.35
▸ MC5R P33032 1/20 0.35
▸ MC3R P41968 1/20 0.35
▸ MC1R Q01726 1/20 0.35
▸ PSMB5 P28074 1/20 0.35

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
SCHEMBL15727292 0.95 REN (0.42) ADAM17RENMMP1MMP2MMP3
SCHEMBL15727237 0.92 REN (0.40) ADAM17RENMMP1MMP2MMP3
SCHEMBL15727312 0.87 CTSD (0.47) ADAM17RENBACE1CA1CA2
SCHEMBL15750340 0.87 MLLT3 (0.44) MMP1MMP2MMP3MMP9MMP8
SCHEMBL15727190 0.85 CTSD (0.47) ADAM17RENBACE1CA1CA2
SCHEMBL15727219 0.84 CTSD (0.48) BACE1CA1CA2
SCHEMBL15727306 0.84 FURIN (0.42) MMP1MMP2MMP3MMP9MMP8
SCHEMBL15727307 0.84 ADAM17 (0.38) ADAM17MLLT3MLLT1SIRT6PSMB5
SCHEMBL15750373 0.84 MLLT3 (0.44) RENMMP1MMP2MMP3MMP9
SCHEMBL15727173 0.82 CTSD (0.46) ADAM17RENBACE1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309285-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2016-04-12 — — US disclosed
WO-2014081886-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO 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 ADAM17 71/4885REN 861/4885MMP1 330/4885

“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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