SCHEMBL3022024

SCHEMBL3022024

CC(C)(C)OC(=O)N1CCC(C(NC(=O)c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MMP13 P45452 3/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ EPAS1 Q99814 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL3022019 1.00 CACNA1B (0.46) CACNA1BAPBA1SAE1UBA2L3MBTL1
SCHEMBL13984745 0.93 MMP13 (0.50) CACNA1BAPBA1SAE1UBA2MMP13
SCHEMBL13266883 0.93 MMP13 (0.50) CACNA1BAPBA1SAE1UBA2MMP13
SCHEMBL13244877 0.86 HIF1A (0.50) CACNA1BAPBA1SAE1UBA2L3MBTL1
SCHEMBL3020468 0.81 SMN1; SMN2 (0.53) CACNA1BAPBA1SAE1UBA2MMP13
SCHEMBL3020471 0.81 SMN1; SMN2 (0.53) CACNA1BAPBA1SAE1UBA2MMP13
SCHEMBL3002329 0.80 SMN1; SMN2 (0.53) CACNA1BAPBA1SAE1UBA2MMP13
SCHEMBL3018980 0.78 MMP13 (0.56) MMP13MMP2MMP9MMP8
SCHEMBL3018972 0.78 MMP13 (0.56) MMP13MMP2MMP9MMP8
SCHEMBL3007908 0.77 MMP13 (0.55) MMP13MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 — — US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 — — EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — 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 (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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CACNA1B 4016/4885APBA1 2589/4885SAE1 1316/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CACNA1B 4016/4885APBA1 2589/4885SAE1 1316/4885

“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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