SCHEMBL3079912

SCHEMBL3079912

CC(C)(C)N(Cc1ncccc1S)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RIPK1 Q13546 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3089376 0.80 CHRM2 (0.32) MEN1KMT2AHTTL3MBTL1POLB
SCHEMBL1631728 0.80 MEN1 (0.38) MEN1KMT2AHTTL3MBTL1POLB
Ammonia Solution, Strong SCHEMBL1632705 0.79 CALCB (0.37) MEN1KMT2AHTTL3MBTL1POLB
SCHEMBL22366419 0.74 CYP1A2 (0.49) MEN1KMT2AHTTL3MBTL1POLB
SCHEMBL1843260 0.73 LMNA (0.42) MEN1KMT2AHTTL3MBTL1POLB
SCHEMBL22656955 0.73 KDM4E (0.37) MEN1KMT2AHTTL3MBTL1POLB
SCHEMBL1630143 0.72 MEN1 (0.51) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL3794949 0.71 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27813381 0.70 KDM4E (0.38) ALDH1A1
SCHEMBL8773482 0.70 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1TDP1

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 MEN1 2194/4885KMT2A 819/4885HTT 4052/4885

“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.