SCHEMBL2155383

SCHEMBL2155383

O=C(O)N[C@H](C#Cc1ccccc1)CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
CYP3A4 P08684 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
REV1 Q9UBZ9 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL2155492 1.00 TP53 (0.51) TP53CYP3A4MMP13MMP14LMNA
SCHEMBL2155491 1.00 TP53 (0.51) TP53CYP3A4MMP13MMP14LMNA
SCHEMBL2154959 0.91 THRB (0.46) TP53LMNAPOLBMEN1KMT2A
SCHEMBL2155432 0.90 MEN1 (0.43) TP53MMP14LMNAPOLBMEN1
SCHEMBL2156824 0.90 TP53 (0.44) TP53CYP3A4MMP13MMP14LMNA
SCHEMBL2156162 0.90 TP53 (0.50) TP53CYP3A4MMP13MMP14LMNA
SCHEMBL2156043 0.88 TP53 (0.49) TP53CYP3A4MMP13MMP14LMNA
SCHEMBL2155028 0.87 ALDH1A1 (0.47) TP53CYP3A4MMP13MMP14LMNA
SCHEMBL2155970 0.86 ATM (0.46) LMNAMEN1KMT2AALDH1A1
SCHEMBL2155171 0.86 TP53 (0.43) TP53CYP3A4MMP13MMP14LMNA

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-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

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 TP53 593/4885CYP3A4 1396/4885MMP13 2288/4885

“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.