SCHEMBL9915381

SCHEMBL9915381

CCCCOc1cn(OCc2ccccc2)c(CNC(=O)C(=O)O)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
TYR P14679 2/20 0.36
C5AR1 P21730 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL16747352 0.92 MEN1 (0.37) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL15279057 0.88 TP53 (0.33) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL16747516 0.87 CYP2C19 (0.41) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL9915331 0.78 MEN1 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL14136527 0.78 PPARD (0.43) TSHRPPARGHPGDLMNASMN1; SMN2
SCHEMBL22022461 0.77 EGFR (0.41) NPC1RAB9AHPGDLMNA
SCHEMBL9915436 0.76 FAAH (0.36) ALDH1A1TSHRMAPK1
SCHEMBL16748752 0.76 TP53 (0.34) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9915493 0.76 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL14136603 0.75 USP2 (0.45) MAPK1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 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 (1 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-20150148326-A1 Monobactams MGAM, MGAM2, BPGM NPC1 3628/4885RAB9A 2614/4885MEN1 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.