SCHEMBL3078744

SCHEMBL3078744

CN(C(=O)O)c1ncccc1S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 3/20 0.38
KDM4E B2RXH2 4/20 0.36
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TACR1 P25103 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B1 P14061 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL2179960 0.79 NAPRT (0.55) NAPRTKDM4ETDP1L3MBTL1LMNA
SCHEMBL27813373 0.78 TACR1 (0.39) KDM4ETACR1L3MBTL1LMNAALDH1A1
SCHEMBL21121863 0.77 KDM4E (0.41) NAPRTKDM4ETDP1L3MBTL1LMNA
SCHEMBL15611185 0.77 PSMD14 (0.43) KDM4EPSMD14COPS5TDP1L3MBTL1
SCHEMBL4598715 0.76 HPGD (0.37) NAPRTKDM4ETDP1L3MBTL1LMNA
SCHEMBL4117490 0.75 KDM4E (0.39) NAPRTKDM4ETDP1L3MBTL1LMNA
SCHEMBL4631216 0.74 ALDH1A1 (0.36) NAPRTTACR1ALDH1A1TSHRKMT2A
SCHEMBL6500461 0.72 KDM4E (0.40) NAPRTKDM4ETDP1L3MBTL1LMNA
SCHEMBL9091943 0.69 HSD17B1 (0.50) NAPRTKDM4ETDP1L3MBTL1LMNA
SCHEMBL4212744 0.69 KDM4E (0.40) NAPRTKDM4EPSMD14COPS5TACR1

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 4 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-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 (1 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-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M NAPRT 1557/4885KDM4E 1553/4885PSMD14 2318/4885

“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.