Sugi Predict

Sugi Predict / Compounds / SCHEMBL2635628

SCHEMBL2635628

SCHEMBL2635628

O=C1NCCCC12CCCN(S(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ PKM P14618 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ATAD2 Q6PL18 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL2635468 0.96 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL2638201 0.89 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL2635754 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL2635315 0.84 EPHX2 (0.45) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL2634893 0.84 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL2635267 0.83 HTT (0.47) MEN1KMT2AL3MBTL1PKMUSP2
SCHEMBL2635599 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL2635256 0.82 CYP3A4 (0.44) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL2635557 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL2635278 0.82 EPHX2 (0.45) MEN1KMT2AALDH1A1TSHRATM

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 MEN1 4056/4885KMT2A 4317/4885ALDH1A1 3342/4885

“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.