SCHEMBL3013883

SCHEMBL3013883

COC(=O)[C@@H](NC(=O)c1ccc(C#CC2CC2c2ccccc2)cc1)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ TLR2 O60603 5/20 0.33
▸ TLR1 Q15399 5/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ PRSS1 P07477 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ CTRB1 P17538 1/20 0.32
▸ CMA1 P23946 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
SCHEMBL3021874 0.85 EPHX2 (0.38) KDM1AEPHX2CCR1PRSS1CTSG
SCHEMBL13831038 0.84 ACACB (0.31) —
SCHEMBL16843258 0.82 P2RY6 (0.31) —
SCHEMBL13737835 0.82 CD274 (0.31) —
SCHEMBL13737833 0.82 CD274 (0.31) —
SCHEMBL13831022 0.82 CD274 (0.31) —
SCHEMBL13831205 0.80 GRM3 (0.32) —
SCHEMBL16840402 0.79 TAS1R3 (0.32) —
SCHEMBL16821105 0.79 TAS1R3 (0.32) —
SCHEMBL16843266 0.79 TAS1R3 (0.32) —

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 8 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
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 KDM1A 4438/4885MAOB 805/4885EPHX2 2129/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KDM1A 4438/4885MAOB 805/4885EPHX2 2129/4885

“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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