SCHEMBL2456095

SCHEMBL2456095

Nc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(OS(=O)(=O)C(F)(F)F)CC[C@H]23)ns1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.34
▸ ESR1 P03372 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NR1I2 O75469 4/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ TDP1 Q9NUW8 3/20 0.30
▸ APAF1 O14727 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ PLCG1 P19174 1/20 0.30
▸ ABCC2 Q92887 1/20 0.30
▸ SIRT5 Q9NXA8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PPARG P37231 2/20 0.30
▸ PGR P06401 2/20 0.30
▸ PSMD14 O00487 1/20 0.30
▸ MMP2 P08253 1/20 0.30

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
SCHEMBL2456093 1.00 KCNH2 (0.34) KCNH2ESR1USP2KDM4EKMT2A
SCHEMBL3076787 0.94 KCNH2 (0.34) KCNH2ESR1USP2KDM4EKMT2A
SCHEMBL3085998 0.91 KCNH2 (0.33) KCNH2
SCHEMBL3085994 0.91 KCNH2 (0.33) KCNH2
SCHEMBL3085224 0.91 KCNH2 (0.33) KCNH2
SCHEMBL3086000 0.91 KCNH2 (0.33) KCNH2
SCHEMBL3078981 0.89 PTGS1 (0.40) KCNH2ESR1USP2KDM4ENR1I2
SCHEMBL3085655 0.89 PTGS1 (0.40) KCNH2ESR1USP2KDM4ENR1I2
SCHEMBL3085653 0.89 PTGS1 (0.40) KCNH2ESR1USP2KDM4ENR1I2
SCHEMBL3085658 0.89 PTGS1 (0.40) KCNH2ESR1USP2KDM4ENR1I2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 — — US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 — — US disclosed
WO-2010123997-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-28 — — WO disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 — — US disclosed
EP-2205600-A1 CARBACEPHEM ß -LACTAM ANTIBIOTICS Achaogen, Inc. (US) 2010-07-14 — — EP disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 — — WO disclosed
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 — — 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M KCNH2 3039/4885ESR1 763/4885USP2 205/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M KCNH2 3205/4885ESR1 770/4885USP2 246/4885

“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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