SCHEMBL114723

SCHEMBL114723

CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)cc(COC2CCCCO2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CREBBP Q92793 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NLRP3 Q96P20 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL113578 0.83 NLRP3 (0.39) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL113509 0.83 MEN1 (0.42) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL3648385 0.81 CREBBP (0.38) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL113696 0.78 MEN1 (0.34) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL1744474 0.77 CYP1A2 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL113587 0.76 ALOX5AP (0.36) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL13214410 0.75 HPGD (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3015556 0.75 ALDH1A1 (0.35) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL3009328 0.74 NLRP3 (0.36) MEN1KMT2ACREBBPNPC1RAB9A
SCHEMBL3004679 0.73 ALDH1A1 (0.35) CREBBPNPC1RAB9AALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424860-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 US disclosed
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed
WO-2010126163-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 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-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE AR, NR5A1, ARL1 MEN1 681/4885KMT2A 1493/4885CREBBP 1613/4885
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R MEN1 1674/4885KMT2A 3144/4885CREBBP 1598/4885

“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.