SCHEMBL3014437

SCHEMBL3014437

COC(=O)C(C(=O)Nc1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HIF1A Q16665 1/20 0.52
▸ EPAS1 Q99814 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL13266943 0.91 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HIF1AEPAS1ALDH1A1
SCHEMBL3022978 0.89 MMP2 (0.52) —
SCHEMBL13266944 0.79 MAPK1 (0.53) SMN1; SMN2MAPK1HIF1AEPAS1ALDH1A1
SCHEMBL13984527 0.79 ACHE (0.50) MAPK1ALDH1A1MAPT
SCHEMBL13245461 0.78 KMT2A (0.54) SMN1; SMN2MAPK1HIF1AEPAS1LMNA
SCHEMBL254974 0.76 MAPK1 (0.70) SMN1; SMN2MAPK1HIF1AEPAS1LMNA
SCHEMBL13244802 0.75 MAPK1 (0.46) SMN1; SMN2MAPK1HIF1AEPAS1ALDH1A1
SCHEMBL13018959 0.75 KMT2A (0.56) SMN1; SMN2MAPK1HIF1AEPAS1TSHR
SCHEMBL400307 0.75 KMT2A (0.56) SMN1; SMN2MAPK1HIF1AEPAS1TSHR
SCHEMBL13654204 0.75 KMT2A (0.56) SMN1; SMN2MAPK1HIF1AEPAS1TSHR

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 12 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-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
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
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 SMN1; SMN2 2202/4885MAPK1 2069/4885HIF1A 2073/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885MAPK1 2069/4885HIF1A 2073/4885

“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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