SCHEMBL17282840

SCHEMBL17282840

C#CCC(O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.48
▸ CTSK P43235 13/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CTSS P25774 8/20 0.42
▸ CTSL P07711 3/20 0.40
▸ CTSB P07858 2/20 0.40
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL28631346 1.00 CYP2D6 (0.48) CYP2D6CTSKCA1CA2CA7
SCHEMBL15627223 1.00 CYP2D6 (0.48) CYP2D6CTSKCA1CA2CA7
SCHEMBL23314770 0.84 CTSK (0.47) CYP2D6CTSKCA1CA2CA7
SCHEMBL15629776 0.84 CTSK (0.61) CYP2D6CTSKCA1CA2CA7
SCHEMBL6381798 0.84 CTSK (0.52) CYP2D6CTSKCA1CA2CA7
SCHEMBL30993196 0.81 CA1 (0.49) CYP2D6CTSKCA1CA2CA7
SCHEMBL30993172 0.81 CA1 (0.49) CYP2D6CTSKCA1CA2CA7
SCHEMBL31606449 0.80 CYP2D6 (0.53) CYP2D6CTSKCA1CA2CA7
SCHEMBL13538162 0.80 CYP2D6 (0.53) CYP2D6CTSKCA1CA2CA7
SCHEMBL14931110 0.80 CYP2D6 (0.53) CYP2D6CTSKCA1CA2CA7

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
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 — — CN disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 — — US disclosed
US-10351595-B2 — — 2019-07-16 — — US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 — — US disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 — — WO 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 (3 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-10351595-B2 — MRPL21, PRSS1, PEPD CYP2D6 4186/4885CTSK 343/4885CA1 3613/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC CYP2D6 3451/4885CTSK 228/4885CA1 4337/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CYP2D6 3451/4885CTSK 228/4885CA1 4337/4885

“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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