SCHEMBL254795

SCHEMBL254795

CC(C)CCCCCCNC(=O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.59
FOLH1 Q04609 2/20 0.43
ALB P02768 2/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTRA2 O43464 5/20 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
SCHEMBL16328629 0.92 FTO (0.61) FTOFOLH1ALBKDM4EMEN1
SCHEMBL18506561 0.91 FTO (0.61) FTOFOLH1ALBKDM4EMEN1
SCHEMBL13286896 0.85 FTO (0.61) FTOFOLH1ALBKDM4EMEN1
SCHEMBL22434201 0.85 FTO (0.67) FTOFOLH1ALBKDM4EMEN1
SCHEMBL2602700 0.85 FTO (0.61) FTOFOLH1ALBKDM4EMEN1
SCHEMBL10191150 0.84 FTO (0.64) FTOALBKDM4EMEN1USP2
SCHEMBL21766776 0.84 FTO (0.47) FTOFOLH1ALBHTRA2HTRA1
SCHEMBL22434165 0.84 FTO (0.70) FTOALBKDM4EMEN1USP2
SCHEMBL25829597 0.84 FTO (0.70) FTOALBKDM4EMEN1USP2
SCHEMBL19676721 0.83 FTO (0.47) FTOFOLH1ALBKDM4EMEN1

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
EP-2459565-B1 SAXITOXIN DERIVATIVES, METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN UNIV LELAND STANFORD JUNIOR (US) 2018-05-02 EP disclosed
US-9174999-B2 Methods and compositions for studying, imaging, and treating pain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-11-03 US disclosed
WO-2010129864-A9 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-03-08 WO disclosed
US-20100284913-A1 Methods and compositions for studying, imaging, and treating pain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2010-11-11 US disclosed
WO-2010129864-A2 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-11-11 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-20100284913-A1 Methods and compositions for studying, imaging, and treating pain INA, SCN3A, SCN9A FTO 2640/4885FOLH1 2566/4885ALB 3115/4885

“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.