SCHEMBL9915385

SCHEMBL9915385

CCCCOc1cn(OCCCC)c(CNS(=O)(=O)c2cccc(C(=O)O)c2)cc1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.48
AKR1C3 P42330 4/20 0.43
CYP2C19 P33261 1/20 0.43
S1PR3 Q99500 5/20 0.42
HTT P42858 1/20 0.41
MEP1B Q16820 1/20 0.41
S1PR1 P21453 2/20 0.41
PTPN11 Q06124 1/20 0.40
KAT6A Q92794 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14136603 0.83 USP2 (0.45) WDR5PTPN11
SCHEMBL14124976 0.83 MEN1 (0.50) AKR1C3CYP2C19HTTMEP1BRAB9A
SCHEMBL14136527 0.78 PPARD (0.43) CYP2C19PTPN11
SCHEMBL16748752 0.77 TP53 (0.34) CYP2C19HTTRAB9A
SCHEMBL14136604 0.76 USP2 (0.45) CYP2C19
SCHEMBL15279057 0.74 TP53 (0.33) WDR5S1PR3HTTPTPN11
SCHEMBL16748757 0.73 S1PR2 (0.33) S1PR3HTTS1PR1RAB9A
SCHEMBL9915493 0.72 SMN1; SMN2 (0.43) CYP2C19RAB9A
SCHEMBL9915355 0.71 COMT (0.38) CYP2C19RAB9A
SCHEMBL9915436 0.71 FAAH (0.36)

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 WDR5 1512/4885AKR1C3 1792/4885CYP2C19 714/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM WDR5 1512/4885AKR1C3 1792/4885CYP2C19 714/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM WDR5 1512/4885AKR1C3 1792/4885CYP2C19 714/4885

“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.