SCHEMBL696558

SCHEMBL696558

O=S(=O)(CCBr)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC22A12 Q96S37 12/20 0.44
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 2/20 0.39
SLC22A6 Q4U2R8 2/20 0.39
SLC22A8 Q8TCC7 2/20 0.39
SLC22A11 Q9NSA0 2/20 0.39
MMP7 P09237 1/20 0.39
KAT6A Q92794 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL1148926 0.82 MEN1 (0.49) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL10292998 0.79 KMT2A (0.53) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL20714808 0.79 KMT2A (0.46) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL4565550 0.79 MEN1 (0.46) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL25360643 0.76 MEN1 (0.43) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL8763365 0.75 MEN1 (0.49) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL27993985 0.75 MEN1 (0.56) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL29874131 0.74 MEN1 (0.60) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL3625928 0.74 MEN1 (0.60) MEN1KMT2ASLC22A12HSD11B1ALDH1A1
SCHEMBL29250332 0.74 SLC22A12 (0.52) MEN1KMT2ASLC22A12HSD11B1ALDH1A1

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
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
CN-102405211-A Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2012-04-04 CN disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
EP-1963317-A1 USE OF PYRROLO [2 , 3-B]PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 MEN1 2996/4885KMT2A 3959/4885SLC22A12 401/4885

“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.