SCHEMBL3081184

SCHEMBL3081184

CC(C)(C)Sc1cccnc1CSC(CNC(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
SSTR4 P31391 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3089379 0.85 SSTR4 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3068316 0.81 SLC22A12 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3087081 0.78 ALDH1A1 (0.38) LMNAMAPT
SCHEMBL3362479 0.77 SLC22A12 (0.36) SLC22A12
SCHEMBL3079212 0.68 ALDH1A1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3091847 0.68 IDO1 (0.41) LMNAMAPTL3MBTL1
SCHEMBL3360367 0.68 KDM4E (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3209179 0.68 KDM6B (0.32) SLC22A12
SCHEMBL6244422 0.67 PPARG (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3081181 0.67 SLC22A12 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3

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-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 (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.