SCHEMBL12401919

SCHEMBL12401919

COC(=O)C1C/C(=C\C(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
CYP19A1 P11511 1/20 0.41
PTPN1 P18031 2/20 0.41
FKBP1A P62942 2/20 0.40
PREP P48147 2/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14942565 1.00 NPSR1 (0.42) NPSR1HTTMITFMAPTCYP19A1
SCHEMBL9602687 0.92 PTPN1 (0.43) HTTMITFMAPTCYP19A1PTPN1
SCHEMBL9602685 0.92 PTPN1 (0.43) HTTMITFMAPTCYP19A1PTPN1
SCHEMBL5765997 0.85 NPSR1 (0.46) NPSR1HTTMITFMAPTCYP19A1
SCHEMBL6649131 0.85 NPSR1 (0.46) NPSR1HTTMITFMAPTCYP19A1
SCHEMBL5765999 0.85 NPSR1 (0.46) NPSR1HTTMITFMAPTCYP19A1
SCHEMBL6645970 0.83 NPSR1 (0.45) NPSR1HTTMITFMAPTCYP19A1
SCHEMBL5765206 0.83 NPSR1 (0.45) NPSR1HTTMITFMAPTCYP19A1
SCHEMBL5766887 0.83 NPSR1 (0.45) NPSR1HTTMITFMAPTCYP19A1
SCHEMBL5765207 0.83 NPSR1 (0.45) NPSR1HTTMITFMAPTCYP19A1

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
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 NPSR1 1382/4885HTT 3023/4885MITF 4275/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 NPSR1 1695/4885HTT 3200/4885MITF 4468/4885

“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.