SCHEMBL2453536

SCHEMBL2453536

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(OS(=O)(=O)C(F)(F)F)CC[C@H]12)c1nsc(N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.35
▸ PGR P06401 2/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ ABCC4 O15439 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ALB P02768 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32
▸ TDP1 Q9NUW8 4/20 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
SCHEMBL3086503 1.00 NR1I2 (0.35) NR1I2PGRPTGS2KCNH2KMT2A
SCHEMBL3086506 1.00 NR1I2 (0.35) NR1I2PGRPTGS2KCNH2KMT2A
SCHEMBL3086504 1.00 NR1I2 (0.35) NR1I2PGRPTGS2KCNH2KMT2A
SCHEMBL3085994 0.92 KCNH2 (0.33) KCNH2
SCHEMBL3085224 0.92 KCNH2 (0.33) KCNH2
SCHEMBL3086000 0.92 KCNH2 (0.33) KCNH2
SCHEMBL3085998 0.92 KCNH2 (0.33) KCNH2
SCHEMBL2458144 0.88 NR1I2 (0.39) NR1I2PGRPTGS2KCNH2KMT2A
SCHEMBL2458141 0.88 NR1I2 (0.39) NR1I2PGRPTGS2KCNH2KMT2A
SCHEMBL3801801 0.88 NR1I2 (0.39) NR1I2PGRPTGS2KCNH2KMT2A

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 12 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-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
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
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-2010030810-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 — — WO 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
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 NR1I2 249/4885PGR 3582/4885PTGS2 1211/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M NR1I2 466/4885PGR 3387/4885PTGS2 1132/4885

“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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