SCHEMBL9915434

SCHEMBL9915434

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 2/20 0.41
PHGDH O43175 1/20 0.41
PTGER2 P43116 1/20 0.41
EPHX2 P34913 3/20 0.41
PTPN11 Q06124 1/20 0.40
PPARD Q03181 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MMP13 P45452 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
SCHEMBL9915325 0.92 SMN1; SMN2 (0.43) LMNASMN1; SMN2
SCHEMBL9915520 0.86 NR1H4 (0.45) NR1H4LMNASMN1; SMN2PTPN11TP53
SCHEMBL14136527 0.84 PPARD (0.43) NR1H4LMNASMN1; SMN2PTPN11PPARD
SCHEMBL16747451 0.82 ALDH1A1 (0.40) LMNATP53TSHR
SCHEMBL14124985 0.82 SGMS2 (0.48) NR1H4LMNASMN1; SMN2PHGDHEPHX2
SCHEMBL9915302 0.80 TP53 (0.40) PTPN11TP53TSHR
SCHEMBL9915331 0.78 MEN1 (0.40) LMNATSHR
SCHEMBL14136603 0.77 USP2 (0.45) NR1H4SMN1; SMN2PTPN11PPARD
SCHEMBL16747452 0.76 PTPRC (0.36)
SCHEMBL16748804 0.76 NR1H4 (0.46) NR1H4LMNASMN1; SMN2PTGER4PTGER2

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 NR1H4 277/4885LMNA 4489/4885SMN1; SMN2 4574/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM NR1H4 277/4885LMNA 4489/4885SMN1; SMN2 4574/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM NR1H4 277/4885LMNA 4489/4885SMN1; SMN2 4574/4885

“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.