SCHEMBL9915325

SCHEMBL9915325

CCCCOc1cn(OCCCC)c(C(=O)NCc2ccc(C(=O)OC)cc2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
CFTR P13569 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
SCHEMBL9915434 0.92 NR1H4 (0.44) SMN1; SMN2LMNA
SCHEMBL9915493 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMEN1KMT2ACYP2C9
SCHEMBL16747360 0.78 MEN1 (0.41) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL9915520 0.78 NR1H4 (0.45) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL14136604 0.77 USP2 (0.45) SMN1; SMN2CYP2C9HPGDMAPT
SCHEMBL16747452 0.76 PTPRC (0.36) KDM4EL3MBTL1MAPT
SCHEMBL9915331 0.76 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1
SCHEMBL14136527 0.76 PPARD (0.43) SMN1; SMN2LMNACYP2C9HPGDMAPT
SCHEMBL9915302 0.75 TP53 (0.40) ALDH1A1HPGD
SCHEMBL16747359 0.74 MAPT (0.44) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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 SMN1; SMN2 4574/4885LMNA 4489/4885MEN1 2023/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM SMN1; SMN2 4574/4885LMNA 4489/4885MEN1 2023/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM SMN1; SMN2 4574/4885LMNA 4489/4885MEN1 2023/4885

“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.