SCHEMBL14136602

SCHEMBL14136602

CCCCOc1coc(CC(=O)O)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 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
SCHEMBL6900551 0.84 RAB9A (0.58) ELANENPC1CYP1A2CYP2C19RECQL
SCHEMBL6900182 0.81 RAB9A (0.42) ELANENPC1CYP1A2CYP2C19RECQL
SCHEMBL15883997 0.81 NPC1 (0.42) ELANENPC1CYP1A2CYP2C19RECQL
SCHEMBL6900481 0.79 MEN1 (0.42) ELANETHRATHRBKMT2A
SCHEMBL8130917 0.78 RAB9A (0.56) ELANENPC1CYP1A2CYP2C19RECQL
SCHEMBL8129293 0.78 RAB9A (0.56) ELANENPC1CYP1A2CYP2C19RECQL
SCHEMBL10494166 0.78 RAB9A (0.56) ELANENPC1CYP1A2CYP2C19RECQL
SCHEMBL8130837 0.78 RAB9A (0.56) ELANENPC1CYP1A2CYP2C19RECQL
SCHEMBL8130767 0.78 RAB9A (0.56) ELANENPC1CYP1A2CYP2C19RECQL
SCHEMBL12723378 0.78 IDH1 (0.54) NPC1CYP1A2CYP2C19RECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US 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-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM ELANE 250/4885THRA 2783/4885THRB 1915/4885

“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.