SCHEMBL12401982

SCHEMBL12401982

Cc1cccc(N[C@H](C(=O)O)C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 2/20 0.44
APAF1 O14727 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SORT1 Q99523 1/20 0.43
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL7936084 0.83 HCRTR2 (0.45) MEN1KMT2AHPGDHSD17B10ALDH1A1
SCHEMBL3047727 0.83 HCRTR2 (0.45) MEN1KMT2AHPGDHSD17B10ALDH1A1
SCHEMBL3042876 0.83 MMP2 (0.50) MEN1KMT2AHPGDNPSR1ALDH1A1
SCHEMBL13224065 0.83 MMP2 (0.50) MEN1KMT2AHPGDNPSR1ALDH1A1
SCHEMBL1634808 0.80 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1GAARXFP1
SCHEMBL1634810 0.80 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1GAARXFP1
SCHEMBL12406649 0.80 PDK1 (0.53) GAARXFP1TP53MITFLMNA
SCHEMBL635520 0.80 PDK1 (0.53) GAARXFP1TP53MITFLMNA
SCHEMBL3054885 0.79 PDK1 (0.54) MEN1KMT2AHSD17B10ALDH1A1GAA
SCHEMBL3045186 0.79 HDAC8 (0.47) MEN1KMT2AHPGDNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 MEN1 2930/4885KMT2A 3222/4885HPGD 1806/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 MEN1 3395/4885KMT2A 2779/4885HPGD 1824/4885

“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.