SCHEMBL14124875

SCHEMBL14124875

O=c1cc(CO)n(O)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.44
COMT P21964 2/20 0.43
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
FOLH1 Q04609 1/20 0.40
MAPK14 Q16539 1/20 0.40
LIPE Q05469 1/20 0.40
IDH1 O75874 1/20 0.39

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
SCHEMBL13555553 0.86 BRD4 (0.44) GSTP1COMTNPC1CYP1A2CYP2C19
SCHEMBL9652539 0.85 MAPK14 (0.49) GSTP1COMTMEN1KMT2ANPC1
SCHEMBL14124826 0.85 GSTP1 (0.41) GSTP1COMTALPGPTK2BMEN1
SCHEMBL28507869 0.83 COMT (0.45) GSTP1COMTALPGPTK2BMEN1
SCHEMBL28501968 0.83 COMT (0.45) GSTP1COMTNPC1CYP1A2CYP2C19
SCHEMBL20541074 0.83 COMT (0.51) GSTP1COMTMEN1KMT2AMAPK14
SCHEMBL9171508 0.83 FFAR1 (0.44) FFAR1NPC1CYP1A2CYP2C19RECQL
SCHEMBL28506693 0.82 COMT (0.56) GSTP1COMTMAPK14
SCHEMBL20540920 0.81 COMT (0.49) GSTP1COMTMAPK14
SCHEMBL28499829 0.81 COMT (0.49) GSTP1COMTNPC1CYP1A2CYP2C19

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 3 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

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 GSTP1 2892/4885COMT 1386/4885ALPG 4719/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM GSTP1 2892/4885COMT 1386/4885ALPG 4719/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM GSTP1 2892/4885COMT 1386/4885ALPG 4719/4885

“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.