SCHEMBL3013879

SCHEMBL3013879

COC(=O)C(NC(=O)c1ccc(C#CC=CC2CC2)cc1)C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ ACACB O00763 4/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3013875 1.00 MMP13 (0.35) MMP13P2RY6L3MBTL1LMNAPRSS1
SCHEMBL3013882 1.00 MMP13 (0.35) MMP13P2RY6L3MBTL1LMNAPRSS1
SCHEMBL3002048 0.87 — —
SCHEMBL3002046 0.87 — —
SCHEMBL13267400 0.81 TAS1R3 (0.39) MMP13CNR1CNR2MMP2CA2
SCHEMBL931702 0.80 — —
SCHEMBL931706 0.80 — —
SCHEMBL931703 0.80 — —
SCHEMBL931705 0.80 — —
SCHEMBL16820674 0.78 LMNA (0.41) P2RY6L3MBTL1LMNAPRSS1CTSG

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
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-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

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 MMP13 2049/4885P2RY6 2649/4885L3MBTL1 2488/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 MMP13 2049/4885P2RY6 2649/4885L3MBTL1 2488/4885

“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.

Send feedback