SCHEMBL12413552

SCHEMBL12413552

CC(C)(C)C(=O)NCNc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA4 P22748 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
EPHX1 P07099 1/20 0.48
MMP8 P22894 1/20 0.47
KDM4E B2RXH2 8/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
GSK3B P49841 1/20 0.46
MAPT P10636 5/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MEN1 O00255 3/20 0.44

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
SCHEMBL16330209 0.83 CA12 (0.74) CA12CA4CA7CA9CA14
SCHEMBL12862996 0.79 KDM4E (0.62) EPHX1MMP8KDM4EGAAALDH1A1
SCHEMBL6636050 0.76 KDM4E (0.50) CA12CA4CA7CA9CA14
SCHEMBL1709278 0.75 MEN1 (0.57) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL23398122 0.75 CA12 (0.58) CA12CA4CA7CA9CA14
SCHEMBL28904877 0.73 KDM4E (0.54) CA12CA4CA7CA9CA14
SCHEMBL13900225 0.73 MTNR1A (0.67) ALDH1A1
SCHEMBL11882576 0.72 CA12 (1.00) CA12CA4CA7CA9CA14
SCHEMBL13037148 0.72 CA12 (0.55) CA12CA4CA7CA9CA14
SCHEMBL12863541 0.71 POLB (0.58) EPHX1MMP8KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CA12 1958/4885CA4 1255/4885CA7 2274/4885

“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.