SCHEMBL3017623

SCHEMBL3017623

COC(=O)C(NC(=O)c1ccc(C#Cc2ccc(CO)cc2)cc1)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 11/20 0.42
▸ EPHX2 P34913 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36

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
SCHEMBL13267033 0.90 GPR119 (0.40) EPHX2ADRB2ADRB1ADRB3
SCHEMBL15382442 0.88 HPGD (0.40) ACACB
SCHEMBL3014315 0.88 PPARA (0.40) ACACB
SCHEMBL3014318 0.88 PPARA (0.40) ACACB
SCHEMBL20299909 0.87 ACACB (0.36) ACACBADRB2ADRB1ADRB3
SCHEMBL13739315 0.86 ACACB (0.34) ACACB
SCHEMBL13739314 0.86 ACACB (0.34) ACACB
SCHEMBL16840372 0.86 PTPN11 (0.35) ACACB
SCHEMBL31480050 0.86 HDAC1 (0.38) ACACB
SCHEMBL13267265 0.85 ALDH1A1 (0.49) —

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 6 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
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 ACACB 3224/4885EPHX2 2129/4885ADRB2 2699/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ACACB 3224/4885EPHX2 2129/4885ADRB2 2699/4885

“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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