SCHEMBL3078853

SCHEMBL3078853

CN(CC(SCc1ncccc1S)C(C)(C)C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3068316 0.85 SLC22A12 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3089379 0.80 SSTR4 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3089376 0.70 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3079912 0.69 MEN1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3652956 0.68
SCHEMBL3078848 0.68 PDK2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3081184 0.65 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3794949 0.64 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3088597 0.63 SSTR4 (0.31)
SCHEMBL6281159 0.62 HPGD (0.40) CYP2C19

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 CHRM2 49/4885CHRM4 605/4885CHRM5 1549/4885

“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.