SCHEMBL3086534

SCHEMBL3086534

COC(=O)c1ncccc1SC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PSMD14 O00487 1/20 0.40
MAP2K1 Q02750 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MPO P05164 1/20 0.39
PKM P14618 1/20 0.39
ACLY P53396 1/20 0.39
KMT2A Q03164 2/20 0.38
BRD4 O60885 1/20 0.38
PLCG1 P19174 1/20 0.38
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3073197 0.82 KDM4E (0.50) L3MBTL1ALDH1A1KDM4EALOX15TDP1
SCHEMBL11373363 0.77 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4ETDP1PKM
SCHEMBL14803552 0.76 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EMAP2K1ALOX15
SCHEMBL31407999 0.75 L3MBTL1 (0.64) L3MBTL1ALDH1A1PSMD14MAP2K1ALOX15
SCHEMBL69177 0.74 L3MBTL1 (0.64) L3MBTL1ALDH1A1KDM4EMAP2K1ALOX15
SCHEMBL17984707 0.74 L3MBTL1 (0.37) L3MBTL1ALDH1A1KDM4EALOX15NPSR1
SCHEMBL13058362 0.74 L3MBTL1 (0.64) L3MBTL1ALDH1A1KDM4ETDP1MPO
Hydrochloric Acid SCHEMBL31408057 0.74 L3MBTL1 (0.62) L3MBTL1ALDH1A1PSMD14MAP2K1ALOX15
Hydrochloric Acid SCHEMBL31407932 0.74 L3MBTL1 (0.62) L3MBTL1ALDH1A1PSMD14MAP2K1ALOX15
SCHEMBL9869654 0.74 L3MBTL1 (0.62) L3MBTL1ALDH1A1KDM4EPSMD14MAP2K1

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 9 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-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
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
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 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
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 L3MBTL1 304/4885ALDH1A1 2468/4885KDM4E 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.