SCHEMBL9915302

SCHEMBL9915302

CCCCOc1cn(OCCCC)c(C(=O)O)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
PTPN11 Q06124 4/20 0.38
S1PR3 Q99500 1/20 0.38
CNR2 P34972 1/20 0.36
PLA2G2A P14555 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PLA2G4B P0C869 1/20 0.35

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
SCHEMBL16747451 0.84 ALDH1A1 (0.40) TP53TSHRALDH1A1
SCHEMBL9915458 0.83 TP53 (0.39) TP53PTPN11S1PR3PLA2G2ATSHR
SCHEMBL9915520 0.82 NR1H4 (0.45) TP53PTPN11TSHRHPGDPLA2G4B
SCHEMBL9915434 0.80 NR1H4 (0.44) TP53PTPN11TSHR
SCHEMBL9915355 0.79 COMT (0.38) TP53ALDH1A1
SCHEMBL16747452 0.78 PTPRC (0.36) CNR2
SCHEMBL15279057 0.76 TP53 (0.33) TP53PTPN11S1PR3TSHRALDH1A1
SCHEMBL9915322 0.76 CYP1A2 (0.34) TP53TSHRALDH1A1HPGD
SCHEMBL9915301 0.76 TDP1 (0.36) TP53ALDH1A1PTPN1
SCHEMBL16748752 0.76 TP53 (0.34) TP53CNR2TSHRALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP 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 TP53 4737/4885PTPN11 3510/4885S1PR3 3452/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM TP53 4737/4885PTPN11 3510/4885S1PR3 3452/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM TP53 4737/4885PTPN11 3510/4885S1PR3 3452/4885

“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.