SCHEMBL3014318

SCHEMBL3014318

CCOCc1ccc(C#Cc2ccc(C(=O)NC(C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ ACACB O00763 8/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3014315 1.00 PPARA (0.40) PPARAPPARGACACBALDH1A1TDP1
SCHEMBL13984789 0.91 PPARA (0.41) PPARAPPARGALDH1A1TDP1GAA
SCHEMBL3017623 0.88 ACACB (0.42) ACACB
SCHEMBL13245444 0.87 ACACB (0.42) ACACBGAARAB9ATAS1R3TAS1R1
SCHEMBL15382442 0.85 HPGD (0.40) PPARAPPARGACACBALDH1A1
SCHEMBL20299909 0.84 ACACB (0.36) ACACBRAB9A
SCHEMBL13267265 0.83 ALDH1A1 (0.49) PPARAPPARGALDH1A1TDP1TAS1R3
SCHEMBL13739314 0.83 ACACB (0.34) ACACBTAS1R3TAS1R1L3MBTL1
SCHEMBL13739315 0.83 ACACB (0.34) ACACBTAS1R3TAS1R1L3MBTL1
SCHEMBL3014313 0.82 PTPN11 (0.35) ACACBALDH1A1GAARAB9ATAS1R3

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 PPARA 1648/4885PPARG 1675/4885ACACB 3224/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 PPARA 1648/4885PPARG 1675/4885ACACB 3224/4885

“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