SCHEMBL4617137

SCHEMBL4617137

CC(C)(C)c1ccc(C(=O)N2CCC(N)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ HPGD P15428 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ RAB9A P51151 1/20 0.53
▸ KDM1A O60341 2/20 0.52
▸ KCNH2 Q12809 1/20 0.51
▸ TRPC6 Q9Y210 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4615964 0.91 MEN1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4618854 0.90 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL17886801 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL5391552 0.85 GAA (0.66) MEN1KMT2AHPGDKDM1AKCNH2
SCHEMBL15470654 0.84 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL15317648 0.84 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL12376597 0.84 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL5692174 0.83 KDM1A (0.61) MEN1KMT2AALDH1A1HPGDKDM1A
SCHEMBL13398520 0.83 KDM1A (0.61) MEN1KMT2AALDH1A1HPGDKDM1A
SCHEMBL15180027 0.83 MEN1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 — — EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 — — US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 — — 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-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 MEN1 886/4885KMT2A 3832/4885ALDH1A1 1865/4885

“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.

Send feedback