SCHEMBL9915516

SCHEMBL9915516

CCCCOc1c[nH]c(CN[S+]([O-])c2ccc(C(=O)O)cc2)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.41
WDR5 P61964 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PTPN11 Q06124 1/20 0.38
RARB P10826 5/20 0.37
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL14124958 0.84 NR4A1 (0.41) HPGDRXRA
SCHEMBL16748696 0.80 PLA2G4B (0.43) PLA2G4BWDR5TP53TSHRPTPN11
SCHEMBL16748648 0.74 CDK1 (0.38)
SCHEMBL16748804 0.72 NR1H4 (0.46) TP53TSHR
SCHEMBL16748830 0.72 CDK1 (0.37) PTPN11
SCHEMBL15279055 0.71 CDK1 (0.35) TP53TSHR
SCHEMBL9915471 0.70 SMN1; SMN2 (0.40) TSHRHPGD
SCHEMBL14818596 0.70 CDK1 (0.40) ALDH1A1
SCHEMBL9915324 0.70 CDK1 (0.38) TP53ALDH1A1
SCHEMBL14136577 0.67 USP2 (0.45) HPGD

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-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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 (3 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM PLA2G4B 1156/4885WDR5 1512/4885TP53 4737/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM PLA2G4B 1156/4885WDR5 1512/4885TP53 4737/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM PLA2G4B 1156/4885WDR5 1512/4885TP53 4737/4885

“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.