SCHEMBL9915458

SCHEMBL9915458

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
TSHR P16473 2/20 0.38
PLA2G2A P14555 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PLA2G4B P0C869 1/20 0.37
TYR P14679 1/20 0.37
S1PR3 Q99500 1/20 0.36
PTPN11 Q06124 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL9915302 0.83 TP53 (0.40) TP53TSHRPLA2G2AALDH1A1HPGD
SCHEMBL12949557 0.78 COMT (0.39) TP53TSHRTYRGAAHTT
SCHEMBL2115801 0.77 SRD5A2 (0.51)
SCHEMBL12968954 0.76 RAB9A (0.50) TP53PLA2G4B
SCHEMBL13555567 0.74 PTGDR2 (0.34) TP53TSHRGAAHTT
SCHEMBL12949565 0.72 BRD4 (0.33) ALDH1A1HPGD
SCHEMBL8134142 0.72 SMPD1 (0.39) PLA2G2AALDH1A1HPGD
SCHEMBL13555566 0.72 NR1H2 (0.34) TP53TSHRTYRGAAHTT
SCHEMBL16747451 0.71 ALDH1A1 (0.40) TP53TSHRALDH1A1
SCHEMBL9915359 0.70 COMT (0.40) TP53TSHRALDH1A1TYRGAA

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 4737/4885TSHR 4478/4885PLA2G2A 1380/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM TP53 4737/4885TSHR 4478/4885PLA2G2A 1380/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM TP53 4737/4885TSHR 4478/4885PLA2G2A 1380/4885

“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.