Sugi Predict

Sugi Predict / Compounds / SCHEMBL2638201

SCHEMBL2638201

SCHEMBL2638201

O=C1NCCCC12CCN(S(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ IDO1 P14902 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ GSTO1 P78417 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35

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
SCHEMBL2635628 0.89 MEN1 (0.46) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL2635468 0.85 MEN1 (0.46) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL2637219 0.84 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL2637485 0.82 HTT (0.52) MEN1KMT2APKMCACNA1BHSD11B1
SCHEMBL2637266 0.81 JAK1 (0.47) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL2637461 0.81 EPHX2 (0.48) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL2637353 0.80 JAK1 (0.48) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL2637199 0.80 MEN1 (0.49) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL2637022 0.79 EPHX2 (0.48) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL31684037 0.78 TSHR (0.74) ALDH1A1MEN1KMT2ATSHRATM

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-20130116270-A1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS LIMTED 2013-05-09 — — US claimed
EP-2569318-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-03-20 — — EP claimed
WO-2011141729-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-11-17 — — WO claimed
US-20130116270-A1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS LIMTED 2013-05-09 — — US disclosed
US-20130116270-A1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS LIMTED 2013-05-09 — — US disclosed
US-20130116270-A1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS LIMTED 2013-05-09 — — US disclosed
EP-2569318-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-03-20 — — EP disclosed
WO-2011141729-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-11-17 — — WO disclosed
WO-2011141729-A1 NOVEL COMPOUNDS 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-20130116270-A1 NOVEL COMPOUNDS TRPV2, CACNA1C, CACNA1B ALDH1A1 3637/4885MEN1 3951/4885KMT2A 4275/4885

“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.