SCHEMBL3209168

SCHEMBL3209168

CC(C)(C)N(CCSCc1cnccc1S)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3362475 0.83 SLC22A12 (0.36) SLC22A12
SCHEMBL3076685 0.79 SLC22A12 (0.31) SLC22A12
SCHEMBL3089376 0.76 CHRM2 (0.32)
SCHEMBL3074009 0.73 ALDH1A1 (0.42) KDM4E
SCHEMBL3091997 0.70 CYP2D6 (0.42)
SCHEMBL3081181 0.67 SLC22A12 (0.32) SLC22A12KDM4E
SCHEMBL19921435 0.66 CYP2C9 (0.49)
SCHEMBL20567938 0.65 MEN1 (0.39) SLC22A12KDM4E
SCHEMBL28628837 0.65 ALDH1A1 (0.39) KDM4E
SCHEMBL3209179 0.65 KDM6B (0.32) SLC22A12

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 3 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
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 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 SLC22A12 461/4885GPBAR1 2652/4885KDM4E 1553/4885

“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.