SCHEMBL2450694

SCHEMBL2450694

Cc1sc(N)nc1C(=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(S)CCC12

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.31
▸ PGR P06401 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL3087170 1.00 NR1I2 (0.31) NR1I2PGRESR1PPARGHSD17B10
SCHEMBL14184951 1.00 NR1I2 (0.31) NR1I2PGRESR1PPARGHSD17B10
SCHEMBL3391751 0.92 KDM4E (0.31) NR1I2HSD17B10TDP1
SCHEMBL2453654 0.92 KDM4E (0.31) NR1I2PGRESR1PPARGHSD17B10
SCHEMBL3076794 0.92 KDM4E (0.31) NR1I2PGRESR1PPARGHSD17B10
SCHEMBL14174247 0.92 KDM4E (0.31) NR1I2HSD17B10TDP1
SCHEMBL12306375 0.88 — —
SCHEMBL3073253 0.88 — —
SCHEMBL14184483 0.88 — —
SCHEMBL2453074 0.88 — —

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-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-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-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 3582/4885ESR1 763/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M NR1I2 466/4885PGR 3387/4885ESR1 770/4885

“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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