SCHEMBL2155076

SCHEMBL2155076

O=S(=O)(C=CC#Cc1cnc2ccccc2c1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTR3A P46098 1/20 0.38
HTR7 P34969 4/20 0.38
HTR6 P50406 4/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 1/20 0.37
HTR1A P08908 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CCKAR P32238 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2155068 1.00 MEN1 (0.49) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2156829 0.82 KMT2A (0.64) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2155481 0.82 KMT2A (0.64) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2155489 0.82 KMT2A (0.64) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2155931 0.79 LMNA (0.51) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL2155435 0.79 LMNA (0.51) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL2155444 0.79 LMNA (0.51) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL2154999 0.77 MMP13 (0.43) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2155163 0.75 MMP13 (0.54) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2156600 0.74 MAPT (0.48) MEN1KMT2ALMNARAB9AALDH1A1

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-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP claimed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US claimed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US claimed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 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-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof GLS2, SRM, GLS MEN1 1661/4885KMT2A 3464/4885LMNA 3423/4885

“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.