SCHEMBL9915503

SCHEMBL9915503

CCCCOc1cnc(-c2nc(C(=O)O)co2)cc1OCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN11 Q06124 2/20 0.36
XDH P47989 1/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 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
SCHEMBL9915361 0.88 ALPL (0.37) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14124897 0.80 P4HTM (0.44) XDH
SCHEMBL17040094 0.78 HDAC1 (0.46) KDM4EALDH1A1SMN1; SMN2PTPN11MEN1
SCHEMBL16748705 0.78 TP53 (0.37) TP53KDM4EALDH1A1NPC1RAB9A
SCHEMBL9915360 0.77 KDM4E (0.47) TP53KDM4EALDH1A1MEN1KMT2A
SCHEMBL9915358 0.77 S1PR3 (0.37) TP53KDM4EALDH1A1NPC1RAB9A
SCHEMBL2874377 0.77 CYP1A2 (0.46) KDM4EALDH1A1SMN1; SMN2PTPN11CYP1A2
SCHEMBL9915463 0.76 ALDH1A1 (0.43) TP53KDM4EALDH1A1
SCHEMBL14136596 0.76 XDH (0.43) TP53KDM4EALDH1A1NPC1RAB9A
SCHEMBL17244012 0.74 S1PR1 (0.41) PTPN11XDH

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 4737/4885KDM4E 2610/4885ALDH1A1 1829/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM TP53 4737/4885KDM4E 2610/4885ALDH1A1 1829/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM TP53 4737/4885KDM4E 2610/4885ALDH1A1 1829/4885

“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.