SCHEMBL2634893

SCHEMBL2634893

Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCCC2(CCNC2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
IDH1 O75874 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
GBA1 P04062 1/20 0.38
GAA P10253 1/20 0.38
SMPD1 P17405 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 3/20 0.37
RORC P51449 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL2635599 0.93 MEN1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2635468 0.88 MEN1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2635315 0.88 EPHX2 (0.45) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2637266 0.87 JAK1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2635680 0.87 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2635557 0.85 MEN1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2635278 0.85 EPHX2 (0.45) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2635628 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2635794 0.84 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL2635165 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US claimed
EP-2569317-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2013-03-20 EP claimed
WO-2011141728-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-11-17 WO claimed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US disclosed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US disclosed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US disclosed
EP-2569317-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2013-03-20 EP disclosed
WO-2011141728-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-11-17 WO disclosed
WO-2011141728-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-11-17 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-20130109711-A1 NOVEL COMPOUNDS TRPV2, CACNA1C, CACNA1B ALDH1A1 3342/4885MEN1 4056/4885KMT2A 4317/4885

“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.