SCHEMBL3021874

SCHEMBL3021874

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ PRSS1 P07477 1/20 0.35
▸ CTSG P08311 1/20 0.35
▸ CTRB1 P17538 1/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ SLC8A1 P32418 1/20 0.35
▸ SCN3A Q9NY46 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
SCHEMBL3002258 0.88 — —
SCHEMBL3013883 0.85 KDM1A (0.37) EPHX2KDM1APRSS1CTSGCTRB1
SCHEMBL13245538 0.83 TAS1R3 (0.45) EPHX2KDM1ACCR1
SCHEMBL13832175 0.82 ACACB (0.34) —
SCHEMBL16843177 0.80 ACACB (0.33) —
SCHEMBL3014114 0.77 TSHR (0.46) EPHX2KDM1A
SCHEMBL16840448 0.77 MMP13 (0.33) PRSS1CTSGCTRB1CMA1
SCHEMBL20299901 0.76 ACACB (0.41) —
SCHEMBL16840367 0.76 ACACB (0.38) PRSS1CTSGCTRB1CMA1
SCHEMBL254640 0.76 ACACB (0.41) —

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 11 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

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 EPHX2 2129/4885KDM1A 4438/4885PRSS1 1488/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 EPHX2 2129/4885KDM1A 4438/4885PRSS1 1488/4885

“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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