SCHEMBL9915520

SCHEMBL9915520

CCCCOc1cn(OCCCC)c(C(=O)Nc2ccc(C(=O)O)cc2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
WDR5 P61964 1/20 0.44
PTPN11 Q06124 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
STAT3 P40763 1/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PPARA Q07869 1/20 0.41
GPR35 Q9HC97 1/20 0.41
PLA2G4B P0C869 1/20 0.40
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL16747360 0.87 MEN1 (0.41) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL9915434 0.86 NR1H4 (0.44) NR1H4PTPN11LMNASMN1; SMN2TSHR
SCHEMBL16747359 0.83 MAPT (0.44) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL9915302 0.82 TP53 (0.40) PTPN11TSHRTP53PLA2G4BHPGD
SCHEMBL9915523 0.81 C5AR1 (0.39) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL14124973 0.80 PPIA (0.48) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL16747451 0.79 ALDH1A1 (0.40) MEN1KMT2ALMNATSHRTP53
SCHEMBL14136527 0.79 PPARD (0.43) NR1H4PTPN11MAPTLMNASMN1; SMN2
SCHEMBL9915325 0.78 SMN1; SMN2 (0.43) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL16747452 0.74 PTPRC (0.36) MAPTKDM4E

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 NR1H4 277/4885MEN1 2023/4885KMT2A 608/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM NR1H4 277/4885MEN1 2023/4885KMT2A 608/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM NR1H4 277/4885MEN1 2023/4885KMT2A 608/4885

“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.