SCHEMBL9915326

SCHEMBL9915326

CCCCOc1cnc(C(=O)NCc2ccc(C(=O)O)cc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP13 P45452 7/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
NR1H4 Q96RI1 3/20 0.47
EGFR P00533 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
PTGER4 P35408 3/20 0.44
PTGER2 P43116 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL15275360 0.83 EGFR (0.56) LMNASMN1; SMN2MMP13NR1H4EGFR
SCHEMBL14124971 0.81 EGFR (0.60) MMP13SLC22A8NR1H4EGFREPHX2
SCHEMBL16748804 0.73 NR1H4 (0.46) LMNASMN1; SMN2NR1H4PTGER4PTGER2
SCHEMBL13693078 0.71 ALDH1A1 (0.59)
SCHEMBL9915434 0.71 NR1H4 (0.44) LMNASMN1; SMN2MMP13NR1H4PTGER4
SCHEMBL27904058 0.71 KMT2A (0.55) LMNASMN1; SMN2
SCHEMBL9915408 0.70 EGLN1 (0.45) LMNA
SCHEMBL13693158 0.69 SMPD1 (0.68)
SCHEMBL10782030 0.69 ALDH1A1 (0.63)
SCHEMBL9915360 0.67 KDM4E (0.47) LMNA

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
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 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 (2 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 LMNA 4489/4885SMN1; SMN2 4574/4885MMP13 2794/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM LMNA 4489/4885SMN1; SMN2 4574/4885MMP13 2794/4885

“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.