SCHEMBL2161104

SCHEMBL2161104

Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HPN P05981 2/20 0.60
PLAU P00749 1/20 0.60
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
MMP9 P14780 3/20 0.55
MMP2 P08253 2/20 0.55
MMP3 P08254 2/20 0.55
MMP13 P45452 2/20 0.55
MMP1 P03956 1/20 0.55
MMP7 P09237 1/20 0.55
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ADAMTS4 O75173 1/20 0.51

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
SCHEMBL2161085 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPNPLAU
SCHEMBL1000596 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPNPLAU
SCHEMBL15368932 0.89 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPNPLAU
SCHEMBL10102615 0.89 SLC1A3 (0.56) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL2053891 0.89 SLC1A3 (0.56) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL15338715 0.88 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPNPLAU
SCHEMBL4826124 0.87 MMP9 (0.71) ALDH1A1MEN1KMT2AHPNPLAU
SCHEMBL14193470 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPNPLAU
SCHEMBL10037164 0.85 HPN (0.59) ALDH1A1MEN1KMT2AHPNPLAU
SCHEMBL14193465 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPNPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 ALDH1A1 1255/4885MEN1 3395/4885KMT2A 2779/4885

“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.