SCHEMBL5658299

SCHEMBL5658299

CC1CCN(S(=O)(=O)c2cc[c]cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
TDP1 Q9NUW8 2/20 0.70
LMNA P02545 3/20 0.66
MCOLN3 Q8TDD5 2/20 0.62
ALDH1A1 P00352 2/20 0.54
EBP Q15125 1/20 0.54
DHCR7 Q9UBM7 1/20 0.54
AKR1C3 P42330 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 2/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TOP1 P11387 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL15503757 0.82 MEN1 (1.00) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL762416 0.82 KMT2A (0.74) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL266466 0.81 MEN1 (0.77) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL15014573 0.81 MEN1 (0.77) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL1229961 0.80 USP2 (0.69) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL421626 0.80 USP2 (0.63) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL4212319 0.79 MEN1 (0.75) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL266385 0.79 LMNA (1.00) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL2839822 0.79 MEN1 (0.75) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL16058234 0.79 POLB (0.66) MEN1KMT2ALMNAALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100372532-C Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
CN-1780617-A Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 US 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR MEN1 3607/4885KMT2A 4094/4885TDP1 4387/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR MEN1 3460/4885KMT2A 3904/4885TDP1 4029/4885

“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.